N-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide

C15H23N3O3S — CID 119604509

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)NC1CCCC1CN
InChIInChI=1S/C15H23N3O3S/c1-2-22(20,21)18-14-8-4-3-7-12(14)15(19)17-13-9-5-6-11(13)10-16/h3-4,7-8,11,13,18H,2,5-6,9-10,16H2,1H3,(H,17,19)
InChIKeyYDXDEXBSUKSDHM-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.31
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide

N-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide (PubChem CID 119604509) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide
PubChem CID119604509
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)NC1CCCC1CN
InChIInChI=1S/C15H23N3O3S/c1-2-22(20,21)18-14-8-4-3-7-12(14)15(19)17-13-9-5-6-11(13)10-16/h3-4,7-8,11,13,18H,2,5-6,9-10,16H2,1H3,(H,17,19)
InChIKeyYDXDEXBSUKSDHM-UHFFFAOYSA-N
XLogP1.31
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide
CID 119601875
N-[2-(aminomethyl)cyclopentyl]-2-anilinobenzamide
CID 119601108
2-(ethylamino)-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 106362523
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide
CID 119389714
N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
CID 119600470
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide
CID 119604933
N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide
CID 119600661
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
N-[2-(aminomethyl)cyclopentyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119602518

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide (CID 119604509) is N-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide is CCS(=O)(=O)Nc1ccccc1C(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide?
The InChIKey is YDXDEXBSUKSDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-22(20,21)18-14-8-4-3-7-12(14)15(19)17-13-9-5-6-11(13)10-16/h3-4,7-8,11,13,18H,2,5-6,9-10,16H2,1H3,(H,17,19).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide?
N-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide has a molecular weight of 325.43 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide is sourced from PubChem (CID 119604509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).