N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide

C14H20N2O3S — CID 119601875

IUPACN-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NC1CCCC1CN
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)13-8-3-2-6-11(13)14(17)16-12-7-4-5-10(12)9-15/h2-3,6,8,10,12H,4-5,7,9,15H2,1H3,(H,16,17)
InChIKeyYESCWOAEYCSXDS-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.95
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide

N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide (PubChem CID 119601875) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide
PubChem CID119601875
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NC1CCCC1CN
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)13-8-3-2-6-11(13)14(17)16-12-7-4-5-10(12)9-15/h2-3,6,8,10,12H,4-5,7,9,15H2,1H3,(H,16,17)
InChIKeyYESCWOAEYCSXDS-UHFFFAOYSA-N
XLogP0.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide
CID 119604509
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
CID 119600470
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-2-anilinobenzamide
CID 119601108
N-[2-(aminomethyl)cyclopentyl]-4-methyl-3-methylsulfonylbenzamide;hydrochloride
CID 119602106
N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide
CID 119600661
N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide
CID 119604933
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 62955505
4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229153
N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
CID 79749551

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide (CID 119601875) is N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide is CS(=O)(=O)c1ccccc1C(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide?
The InChIKey is YESCWOAEYCSXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-20(18,19)13-8-3-2-6-11(13)14(17)16-12-7-4-5-10(12)9-15/h2-3,6,8,10,12H,4-5,7,9,15H2,1H3,(H,16,17).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide?
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide has a molecular weight of 296.39 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 119601875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).