1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide

C12H15FN2O3S — CID 115452495

IUPAC1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)C2(CN)CC2)c1
InChIInChI=1S/C12H15FN2O3S/c1-19(17,18)8-2-3-9(13)10(6-8)15-11(16)12(7-14)4-5-12/h2-3,6H,4-5,7,14H2,1H3,(H,15,16)
InChIKeyQEPIBXQMLWQRQX-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.91
Rot. Bonds4

About 1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide (PubChem CID 115452495) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide
PubChem CID115452495
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)C2(CN)CC2)c1
InChIInChI=1S/C12H15FN2O3S/c1-19(17,18)8-2-3-9(13)10(6-8)15-11(16)12(7-14)4-5-12/h2-3,6H,4-5,7,14H2,1H3,(H,15,16)
InChIKeyQEPIBXQMLWQRQX-UHFFFAOYSA-N
XLogP0.91
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121700
N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide
CID 63130876
1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
CID 115452488
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide
CID 80599519
N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106828727
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119788911
1-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 115452709
5-(2-fluoro-5-methylsulfonylanilino)-5-oxopentanoic acid
CID 60708181
(2R)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3,3-dimethylbutanamide
CID 103928803
N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide
CID 31929476
3-bromo-N-(2-fluoro-5-methylsulfonylphenyl)adamantane-1-carboxamide
CID 55369511
1-(aminomethyl)-N-(2-chloro-5-sulfamoylphenyl)cyclobutane-1-carboxamide
CID 115447750

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide (CID 115452495) is 1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide is CS(=O)(=O)c1ccc(F)c(NC(=O)C2(CN)CC2)c1.
What is the InChIKey of 1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide?
The InChIKey is QEPIBXQMLWQRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c1-19(17,18)8-2-3-9(13)10(6-8)15-11(16)12(7-14)4-5-12/h2-3,6H,4-5,7,14H2,1H3,(H,15,16).
What are the key properties of 1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115452495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).