N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide

C15H22N2O2S — CID 63115345

IUPACN-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide
SMILESCc1ccc(N)cc1NC(=O)CCS(=O)C1CCCC1
InChIInChI=1S/C15H22N2O2S/c1-11-6-7-12(16)10-14(11)17-15(18)8-9-20(19)13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,16H2,1H3,(H,17,18)
InChIKeyGPKMEWOESKZEQX-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.60
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide

N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide (PubChem CID 63115345) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide
PubChem CID63115345
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide
SMILESCc1ccc(N)cc1NC(=O)CCS(=O)C1CCCC1
InChIInChI=1S/C15H22N2O2S/c1-11-6-7-12(16)10-14(11)17-15(18)8-9-20(19)13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,16H2,1H3,(H,17,18)
InChIKeyGPKMEWOESKZEQX-UHFFFAOYSA-N
XLogP2.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide 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-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810
N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide
CID 66322376
N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide
CID 61288866
N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide
CID 62116315
N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride
CID 120568872
N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 120568117
N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54881990
N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 16779127
N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride
CID 120569234
N-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide
CID 63119626
N-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride
CID 120568203
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide (CID 63115345) is N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide is Cc1ccc(N)cc1NC(=O)CCS(=O)C1CCCC1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide?
The InChIKey is GPKMEWOESKZEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-6-7-12(16)10-14(11)17-15(18)8-9-20(19)13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,16H2,1H3,(H,17,18).
What are the key properties of N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide?
N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide has a molecular weight of 294.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide is sourced from PubChem (CID 63115345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).