2-phenylsulfanylpentanamide

C11H15NOS — CID 140812068

IUPAC2-phenylsulfanylpentanamide
SMILESCCCC(Sc1ccccc1)C(N)=O
InChIInChI=1S/C11H15NOS/c1-2-6-10(11(12)13)14-9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H2,12,13)
InChIKeyQKKOSNCFJOPTEY-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.43
Rot. Bonds5

About 2-phenylsulfanylpentanamide

2-phenylsulfanylpentanamide (PubChem CID 140812068) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-phenylsulfanylpentanamide.

Molecular Properties

Compound Name2-phenylsulfanylpentanamide
PubChem CID140812068
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-phenylsulfanylpentanamide
SMILESCCCC(Sc1ccccc1)C(N)=O
InChIInChI=1S/C11H15NOS/c1-2-6-10(11(12)13)14-9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H2,12,13)
InChIKeyQKKOSNCFJOPTEY-UHFFFAOYSA-N
XLogP2.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Benzenesulfinyl-heptanoic acid hydroxyamide
CID 9816867
Hexanamide, N-hydroxy-6-(phenylthio)-
CID 11637291
2-[(4-Fluorophenyl)thio]acetamide
CID 2407366
6-Benzenesulfinylhexanoic acid hydroxamide
CID 11694528
3-Benzenesulfonyl-hexanoic acid hydroxyamide
CID 10492338
2-(Phenylsulfinyl)acetamide
CID 12335699
3-Benzenesulfonyl-pentanoic acid hydroxyamide
CID 10753630
3-(Benzenesulfonyl)propanamide
CID 853565
2-(Benzenesulfonyl)acetamide
CID 1810305
2-Cyano-2-phenylsulfanylacetamide
CID 361852
Cyclopentanecarboxamide, 1-(phenylthio)-
CID 3063640
N-methyl-2-(phenylsulfanyl)acetamide
CID 965608

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanylpentanamide?
The IUPAC name of 2-phenylsulfanylpentanamide (CID 140812068) is 2-phenylsulfanylpentanamide.
What is the SMILES notation for 2-phenylsulfanylpentanamide?
The canonical SMILES for 2-phenylsulfanylpentanamide is CCCC(Sc1ccccc1)C(N)=O.
What is the InChIKey of 2-phenylsulfanylpentanamide?
The InChIKey is QKKOSNCFJOPTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-2-6-10(11(12)13)14-9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H2,12,13).
What are the key properties of 2-phenylsulfanylpentanamide?
2-phenylsulfanylpentanamide has a molecular weight of 209.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylpentanamide is sourced from PubChem (CID 140812068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).