(NE)-N-(cyclopropylmethylidene)methanesulfonamide

C5H9NO2S — CID 59578422

IUPAC(NE)-N-(cyclopropylmethylidene)methanesulfonamide
SMILESCS(=O)(=O)/N=C/C1CC1
InChIInChI=1S/C5H9NO2S/c1-9(7,8)6-4-5-2-3-5/h4-5H,2-3H2,1H3/b6-4+
InChIKeyOGBAWYJSROZPLB-GQCTYLIASA-N
MW147.20 g/mol
LogP0.43
Rot. Bonds2

About (NE)-N-(cyclopropylmethylidene)methanesulfonamide

(NE)-N-(cyclopropylmethylidene)methanesulfonamide (PubChem CID 59578422) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is (NE)-N-(cyclopropylmethylidene)methanesulfonamide.

Molecular Properties

Compound Name(NE)-N-(cyclopropylmethylidene)methanesulfonamide
PubChem CID59578422
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name(NE)-N-(cyclopropylmethylidene)methanesulfonamide
SMILESCS(=O)(=O)/N=C/C1CC1
InChIInChI=1S/C5H9NO2S/c1-9(7,8)6-4-5-2-3-5/h4-5H,2-3H2,1H3/b6-4+
InChIKeyOGBAWYJSROZPLB-GQCTYLIASA-N
XLogP0.43
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethylidene)methanesulfonamide
CID 66788560
(E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine
CID 20730842
N,N-dimethyl-N'-methylsulfonylmethanimidamide;methane
CID 159547919
N,N-dicyclopentylmethanesulfonamide
CID 71097548
(Z)-2-cyclopropylethenesulfonyl chloride
CID 117265972
N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide
CID 66701339
N-chloro-N-methylsulfonylmethanesulfonamide
CID 13122216
4-(methyliminomethyl)cyclohexan-1-amine
CID 146733456
N-[(Z)-3-aminoprop-2-enylidene]methanesulfonamide
CID 173467220
(E)-cyclobutylmethylidenehydrazine
CID 13183760
N-cyclopentyl-1-cyclopropylmethanimine
CID 135072127
N-[tert-butyl(hydroxy)silyl]-1-cyclopropylmethanimine
CID 174022653

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(cyclopropylmethylidene)methanesulfonamide?
The IUPAC name of (NE)-N-(cyclopropylmethylidene)methanesulfonamide (CID 59578422) is (NE)-N-(cyclopropylmethylidene)methanesulfonamide.
What is the SMILES notation for (NE)-N-(cyclopropylmethylidene)methanesulfonamide?
The canonical SMILES for (NE)-N-(cyclopropylmethylidene)methanesulfonamide is CS(=O)(=O)/N=C/C1CC1.
What is the InChIKey of (NE)-N-(cyclopropylmethylidene)methanesulfonamide?
The InChIKey is OGBAWYJSROZPLB-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9NO2S/c1-9(7,8)6-4-5-2-3-5/h4-5H,2-3H2,1H3/b6-4+.
What are the key properties of (NE)-N-(cyclopropylmethylidene)methanesulfonamide?
(NE)-N-(cyclopropylmethylidene)methanesulfonamide has a molecular weight of 147.20 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(cyclopropylmethylidene)methanesulfonamide is sourced from PubChem (CID 59578422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).