chempirical

4-(3-Aminopropyl)thiomorpholine 1,1-dioxide

C7H16N2O2SCAS 90000-25-2192.28 g/mol

Open in Covalent MOL file
SOONH2N
Primary amineSulfoneTertiary amine

Properties

Molecular formula
C7H16N2O2S
Molar mass
192.28 g/mol
Exact mass
192.0932 Da
logP
-0.93Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
90000-25-2
SMILES
C1CS(=O)(=O)CCN1CCCN
InChIKey
FSRMWCVZAUEPEQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H16N2O2S/c8-2-1-3-9-4-6-12(10,11)7-5-9/h1-8H2

Weigh it out

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

Work with 4-(3-Aminopropyl)thiomorpholine 1,1-dioxide

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

Similar compounds

4-(2-Aminoethyl)thiomorpholine 1,1-dioxide89937-52-075 % similar 4-(3-Hydroxypropyl)thiomorpholine 1,1-dioxide205194-33-857 % similar 1-Pyrrolidinepropanamine23159-07-157 % similar 1,4-Bis(3′-aminopropyl)piperazine7209-38-357 % similar 3-(Azepan-1-yl)propan-1-amine3437-33-054 % similar 1-Piperidinepropanamine3529-08-654 % similar 4-(Pyrrolidin-1-yl)butan-1-amine24715-90-050 % similar 4-(2-Hydroxyethyl)thiomorpholine 1,1-dioxide26475-62-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook