1-Methylcyclopropanesulfonamide

C₄H₉NO₂SCAS 669008-26-8135.18 g/mol

Open in Covalent MOL file

Sulfonamide

Properties

Molecular formula: C₄H₉NO₂S
Molar mass: 135.18 g/mol
Exact mass: 135.0354 Da
Melting point: 103–104 °C
logP: -0.17Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

669008-26-8

SMILES

CC1(S(N)(=O)=O)CC1

InChIKey

ATJVVVCODTXRAE-UHFFFAOYSA-N

InChI

InChI=1S/C4H9NO2S/c1-4(2-3-4)8(5,6)7/h2-3H2,1H3,(H2,5,6,7)

Weigh it out

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

Names and synonyms

2 names

Cyclopropanesulfonamide, 1-methyl-
1-Methylcyclopropane-1-sulfonamide

Work with 1-Methylcyclopropanesulfonamide

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

tert-Butylsulfonamide34813-49-550 % similar N-tert-Butyl-1-methylcyclopropane-1-sulfonamide669008-25-739 % similar 1,1,1-Trifluoromethanesulfonamide421-85-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

S-Methylcysteine1187-84-4 Thiomorpholine 1,1-dioxide39093-93-1 Homocysteine454-29-5 L-Homocysteine6027-13-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook