N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide

C15H24N2O3S — CID 106737938

IUPACN-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC(CN)C1CCCC1
InChIInChI=1S/C15H24N2O3S/c1-11-7-8-14(20-2)15(9-11)21(18,19)17-13(10-16)12-5-3-4-6-12/h7-9,12-13,17H,3-6,10,16H2,1-2H3
InChIKeyYHKQCTGAUUPMDS-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.80
Rot. Bonds6

About N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide

N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 106737938) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID106737938
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC(CN)C1CCCC1
InChIInChI=1S/C15H24N2O3S/c1-11-7-8-14(20-2)15(9-11)21(18,19)17-13(10-16)12-5-3-4-6-12/h7-9,12-13,17H,3-6,10,16H2,1-2H3
InChIKeyYHKQCTGAUUPMDS-UHFFFAOYSA-N
XLogP1.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 120713602
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide
CID 119983507
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119986669
N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide
CID 65188507
2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62047418
N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide
CID 119983634
N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120710803
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 63252483
N-(2-amino-1-cyclopropylethyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119986612
2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide
CID 8777904
(2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393559

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide (CID 106737938) is N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NC(CN)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is YHKQCTGAUUPMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-7-8-14(20-2)15(9-11)21(18,19)17-13(10-16)12-5-3-4-6-12/h7-9,12-13,17H,3-6,10,16H2,1-2H3.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 106737938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).