1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide

C14H21N3O3S — CID 81486575

IUPAC1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)C2(CN)CCCC2)c1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)17-12-6-4-5-11(9-12)16-13(18)14(10-15)7-2-3-8-14/h4-6,9,17H,2-3,7-8,10,15H2,1H3,(H,16,18)
InChIKeyZFYYCRNXMXGTIQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.52
Rot. Bonds5

About 1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide

1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide (PubChem CID 81486575) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
PubChem CID81486575
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)C2(CN)CCCC2)c1
InChIInChI=1S/C14H21N3O3S/c1-21(19,20)17-12-6-4-5-11(9-12)16-13(18)14(10-15)7-2-3-8-14/h4-6,9,17H,2-3,7-8,10,15H2,1H3,(H,16,18)
InChIKeyZFYYCRNXMXGTIQ-UHFFFAOYSA-N
XLogP1.52
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide
CID 115447728
1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119700920
1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 119709721
1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
CID 115452464
1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674707
1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 81485238
1-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxylic acid
CID 117455529
5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid
CID 115434908
3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115452538
N-[3-[1-(aminomethyl)cyclopropyl]phenyl]methanesulfonamide
CID 117353694
1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide
CID 80587158
3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63139750

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide (CID 81486575) is 1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide is CS(=O)(=O)Nc1cccc(NC(=O)C2(CN)CCCC2)c1.
What is the InChIKey of 1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide?
The InChIKey is ZFYYCRNXMXGTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-21(19,20)17-12-6-4-5-11(9-12)16-13(18)14(10-15)7-2-3-8-14/h4-6,9,17H,2-3,7-8,10,15H2,1H3,(H,16,18).
What are the key properties of 1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 81486575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).