N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide

C14H20N2OS — CID 55136606

IUPACN-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide
SMILESCc1c(N)cccc1NC(=O)CSC1CCCC1
InChIInChI=1S/C14H20N2OS/c1-10-12(15)7-4-8-13(10)16-14(17)9-18-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9,15H2,1H3,(H,16,17)
InChIKeyYMSNMWSSQANONQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.19
Rot. Bonds4

About N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide

N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide (PubChem CID 55136606) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide
PubChem CID55136606
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide
SMILESCc1c(N)cccc1NC(=O)CSC1CCCC1
InChIInChI=1S/C14H20N2OS/c1-10-12(15)7-4-8-13(10)16-14(17)9-18-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9,15H2,1H3,(H,16,17)
InChIKeyYMSNMWSSQANONQ-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide
CID 63114529
2-[(2-cyclohexylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 8705745
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827
N-(3-amino-2-methylphenyl)-4-(cyclopentylmethylsulfanyl)butanamide
CID 63119327
methyl 2-[2-(3-amino-2-methylanilino)-2-oxoethyl]sulfanylacetate
CID 43618012
2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 6456804
N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide
CID 16791407
N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide
CID 62125474
N-(3-amino-2-methylphenyl)-3-[cyclopentyl(ethyl)amino]propanamide
CID 43540741
N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545494
N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 16781307
N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 61296037

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide (CID 55136606) is N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide is Cc1c(N)cccc1NC(=O)CSC1CCCC1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide?
The InChIKey is YMSNMWSSQANONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-12(15)7-4-8-13(10)16-14(17)9-18-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9,15H2,1H3,(H,16,17).
What are the key properties of N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide?
N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide has a molecular weight of 264.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide is sourced from PubChem (CID 55136606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).