(R)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide

C₁₀H₁₆N₂O₃SCAS 112101-81-2244.31 g/mol

Open in Covalent MOL file

Ether Primary amine Sulfonamide

Properties

Molecular formula: C₁₀H₁₆N₂O₃S
Molar mass: 244.31 g/mol
Exact mass: 244.0882 Da
Melting point: 166–167 °C
logP: 0.23Crippen estimate
Polar surface area: 95.4 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Hazards

Danger

H317 May cause an allergic skin reaction81.8% of notifiers
H318 Causes serious eye damage54.5% of notifiers
H411 Toxic to aquatic life with long lasting effects54.5% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

112101-81-2

SMILES

COc1ccc(C[C@@H](C)N)cc1S(N)(=O)=O

InChIKey

IORITYIZDHJCGT-SSDOTTSWSA-N

InChI

InChI=1S/C10H16N2O3S/c1-7(11)5-8-3-4-9(15-2)10(6-8)16(12,13)14/h3-4,6-7H,5,11H2,1-2H3,(H2,12,13,14)/t7-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzenesulfonamide, 5-[(2R)-2-aminopropyl]-2-methoxy-
Benzenesulfonamide, 5-(2-aminopropyl)-2-methoxy-, (R)-
5-[(2R)-2-Aminopropyl]-2-methoxybenzenesulfonamide
(R)-(-)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide

Work with (R)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-(-)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide hydrochloride112101-75-4Salt

Similar compounds

2-Methoxy-5-(2-oxopropyl)benzenesulfonamide116091-63-558 % similar 2,5-Dimethoxybenzenesulfonamide19116-90-656 % similar Tamsulosin106133-20-454 % similar Tamsulosin hydrochloride106463-17-652 % similar Dl-Tamsulosin hydrochloride80223-99-052 % similar 3-Methoxy-O-methyl-L-tyrosine32161-30-140 % similar (S)-2-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid55-59-440 % similar d-Amphetamine sulfate51-63-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Biotin22879-79-4 5-Amino-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide25797-78-8 Biotin58-85-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook