3-methyl-5-phenylsulfanylpentanamide

C12H17NOS — CID 57232300

IUPAC3-methyl-5-phenylsulfanylpentanamide
SMILESCC(CCSc1ccccc1)CC(N)=O
InChIInChI=1S/C12H17NOS/c1-10(9-12(13)14)7-8-15-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,13,14)
InChIKeyHRDBSNXMYSOMCF-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.68
Rot. Bonds6

About 3-methyl-5-phenylsulfanylpentanamide

3-methyl-5-phenylsulfanylpentanamide (PubChem CID 57232300) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-methyl-5-phenylsulfanylpentanamide.

Molecular Properties

Compound Name3-methyl-5-phenylsulfanylpentanamide
PubChem CID57232300
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name3-methyl-5-phenylsulfanylpentanamide
SMILESCC(CCSc1ccccc1)CC(N)=O
InChIInChI=1S/C12H17NOS/c1-10(9-12(13)14)7-8-15-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,13,14)
InChIKeyHRDBSNXMYSOMCF-UHFFFAOYSA-N
XLogP2.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Hexanamide, N-hydroxy-6-(phenylthio)-
CID 11637291
2-((2-Methylphenyl)thio)-acetamide
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Benzeneacetamide, 4-((1-methylethyl)thio)-
CID 827349
Cyclopentanecarboxamide, 1-(phenylthio)-
CID 3063640
Benzeneacetamide, alpha-methyl-4-((1-methylethyl)thio)-
CID 3075987
2-(Phenylthio)acetamide
CID 352162
3-(Phenylthio)propionamide
CID 11629695
2-(2-Fluorophenyl)sulfanylpropanamide
CID 45837928
1-(2-Phenylsulfanylethyl)piperidine-4-carboxamide
CID 56790465
2-[(3,4-Difluorophenyl)sulfanylmethyl]cyclohexane-1-carboxamide
CID 91130307
2-(4-Fluoro-3-methylphenyl)sulfanylhexanamide
CID 143743960

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenylsulfanylpentanamide?
The IUPAC name of 3-methyl-5-phenylsulfanylpentanamide (CID 57232300) is 3-methyl-5-phenylsulfanylpentanamide.
What is the SMILES notation for 3-methyl-5-phenylsulfanylpentanamide?
The canonical SMILES for 3-methyl-5-phenylsulfanylpentanamide is CC(CCSc1ccccc1)CC(N)=O.
What is the InChIKey of 3-methyl-5-phenylsulfanylpentanamide?
The InChIKey is HRDBSNXMYSOMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-10(9-12(13)14)7-8-15-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,13,14).
What are the key properties of 3-methyl-5-phenylsulfanylpentanamide?
3-methyl-5-phenylsulfanylpentanamide has a molecular weight of 223.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenylsulfanylpentanamide is sourced from PubChem (CID 57232300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).