2-amino-3-(cyclopentylmethylsulfanyl)benzamide

C13H18N2OS — CID 115547631

IUPAC2-amino-3-(cyclopentylmethylsulfanyl)benzamide
SMILESNC(=O)c1cccc(SCC2CCCC2)c1N
InChIInChI=1S/C13H18N2OS/c14-12-10(13(15)16)6-3-7-11(12)17-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,14H2,(H2,15,16)
InChIKeyJOIYGYMANQBZTA-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.65
Rot. Bonds4

About 2-amino-3-(cyclopentylmethylsulfanyl)benzamide

2-amino-3-(cyclopentylmethylsulfanyl)benzamide (PubChem CID 115547631) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-amino-3-(cyclopentylmethylsulfanyl)benzamide.

Molecular Properties

Compound Name2-amino-3-(cyclopentylmethylsulfanyl)benzamide
PubChem CID115547631
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-amino-3-(cyclopentylmethylsulfanyl)benzamide
SMILESNC(=O)c1cccc(SCC2CCCC2)c1N
InChIInChI=1S/C13H18N2OS/c14-12-10(13(15)16)6-3-7-11(12)17-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,14H2,(H2,15,16)
InChIKeyJOIYGYMANQBZTA-UHFFFAOYSA-N
XLogP2.65
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.65
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

ethyl 2-amino-3-(cyclopentylmethylsulfanyl)benzoate
CID 115547630
2-(cyclobutylmethylsulfanyl)-6-methylaniline
CID 79146458
2-amino-3-(3-hydroxypropylsulfanyl)benzamide
CID 115547680
2-amino-3-benzylsulfanylbenzamide
CID 113333393
2-amino-3-methylsulfanylbenzamide
CID 115547557
2-amino-3-(cyclobutylmethylamino)benzamide
CID 115544780
3-(cyclopropylmethylsulfanyl)-2-methylbenzoic acid
CID 154163446
2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide
CID 114234242
methyl 3-(2-amino-3-carbamoylphenyl)sulfanylpropanoate
CID 115547531
methyl 2-amino-3-(oxolan-2-ylmethylsulfanyl)benzoate
CID 106495160
2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide
CID 115545500
2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide
CID 115546593

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(cyclopentylmethylsulfanyl)benzamide?
The IUPAC name of 2-amino-3-(cyclopentylmethylsulfanyl)benzamide (CID 115547631) is 2-amino-3-(cyclopentylmethylsulfanyl)benzamide.
What is the SMILES notation for 2-amino-3-(cyclopentylmethylsulfanyl)benzamide?
The canonical SMILES for 2-amino-3-(cyclopentylmethylsulfanyl)benzamide is NC(=O)c1cccc(SCC2CCCC2)c1N.
What is the InChIKey of 2-amino-3-(cyclopentylmethylsulfanyl)benzamide?
The InChIKey is JOIYGYMANQBZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c14-12-10(13(15)16)6-3-7-11(12)17-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,14H2,(H2,15,16).
What are the key properties of 2-amino-3-(cyclopentylmethylsulfanyl)benzamide?
2-amino-3-(cyclopentylmethylsulfanyl)benzamide has a molecular weight of 250.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(cyclopentylmethylsulfanyl)benzamide is sourced from PubChem (CID 115547631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).