1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide

C15H20N2O2S — CID 107418691

IUPAC1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
SMILESCC1CCCC1CNS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2S/c1-12-3-2-4-15(12)10-17-20(18,19)11-14-7-5-13(9-16)6-8-14/h5-8,12,15,17H,2-4,10-11H2,1H3
InChIKeyHOZVCRKGUVNONE-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.41
Rot. Bonds5

About 1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide

1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide (PubChem CID 107418691) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
PubChem CID107418691
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
SMILESCC1CCCC1CNS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2S/c1-12-3-2-4-15(12)10-17-20(18,19)11-14-7-5-13(9-16)6-8-14/h5-8,12,15,17H,2-4,10-11H2,1H3
InChIKeyHOZVCRKGUVNONE-UHFFFAOYSA-N
XLogP2.41
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107418696
1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107417773
3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid
CID 107416749
1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide
CID 107857409
6-cyano-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107418699
1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide
CID 62664800
1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide
CID 79117976
2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide
CID 138050387
2-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide
CID 107416496
3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile
CID 107418639
3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031561
4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 107418224

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide (CID 107418691) is 1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide is CC1CCCC1CNS(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide?
The InChIKey is HOZVCRKGUVNONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12-3-2-4-15(12)10-17-20(18,19)11-14-7-5-13(9-16)6-8-14/h5-8,12,15,17H,2-4,10-11H2,1H3.
What are the key properties of 1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide?
1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide is sourced from PubChem (CID 107418691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).