N-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide

C13H19N3O4S — CID 63889192

IUPACN-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(CN)CCCC1
InChIInChI=1S/C13H19N3O4S/c1-10-4-5-11(16(17)18)8-12(10)21(19,20)15-13(9-14)6-2-3-7-13/h4-5,8,15H,2-3,6-7,9,14H2,1H3
InChIKeyZFHPWWUSNQEJDH-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.45
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide

N-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide (PubChem CID 63889192) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide
PubChem CID63889192
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(CN)CCCC1
InChIInChI=1S/C13H19N3O4S/c1-10-4-5-11(16(17)18)8-12(10)21(19,20)15-13(9-14)6-2-3-7-13/h4-5,8,15H,2-3,6-7,9,14H2,1H3
InChIKeyZFHPWWUSNQEJDH-UHFFFAOYSA-N
XLogP1.45
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide 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

N-[1-(aminomethyl)cyclopentyl]-2-ethyl-5-nitrobenzenesulfonamide;hydrochloride
CID 119981059
N-[1-(aminomethyl)cyclopentyl]-2-methoxy-4-nitrobenzenesulfonamide
CID 119980674
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119980798
N-[(1-aminocyclohexyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 119958870
N-[1-(aminomethyl)cyclopentyl]-2-methyl-6-nitrobenzenesulfonamide
CID 63888405
N-[1-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzenesulfonamide
CID 63888008
N-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 120710284
N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 119980805
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-nitrobenzenesulfonamide
CID 82844866
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 114749790
N-(2-amino-2-ethylbutyl)-2-methyl-5-nitrobenzenesulfonamide
CID 115305944
2-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-4-nitrobenzenesulfonamide
CID 104600274

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide (CID 63889192) is N-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide?
The InChIKey is ZFHPWWUSNQEJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-10-4-5-11(16(17)18)8-12(10)21(19,20)15-13(9-14)6-2-3-7-13/h4-5,8,15H,2-3,6-7,9,14H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide?
N-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 63889192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).