4-hydroxy-5-methyl-5-phenylsulfanylhexanamide

C13H19NO2S — CID 11161111

IUPAC4-hydroxy-5-methyl-5-phenylsulfanylhexanamide
SMILESCC(C)(Sc1ccccc1)C(O)CCC(N)=O
InChIInChI=1S/C13H19NO2S/c1-13(2,11(15)8-9-12(14)16)17-10-6-4-3-5-7-10/h3-7,11,15H,8-9H2,1-2H3,(H2,14,16)
InChIKeyARUSHJVWBJIKLW-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.18
Rot. Bonds6

About 4-hydroxy-5-methyl-5-phenylsulfanylhexanamide

4-hydroxy-5-methyl-5-phenylsulfanylhexanamide (PubChem CID 11161111) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-5-phenylsulfanylhexanamide.

Molecular Properties

Compound Name4-hydroxy-5-methyl-5-phenylsulfanylhexanamide
PubChem CID11161111
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-hydroxy-5-methyl-5-phenylsulfanylhexanamide
SMILESCC(C)(Sc1ccccc1)C(O)CCC(N)=O
InChIInChI=1S/C13H19NO2S/c1-13(2,11(15)8-9-12(14)16)17-10-6-4-3-5-7-10/h3-7,11,15H,8-9H2,1-2H3,(H2,14,16)
InChIKeyARUSHJVWBJIKLW-UHFFFAOYSA-N
XLogP2.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Butylphenyl)sulfanyl-3-hydroxy-4-methylpentanamide
CID 11842911
3-Hydroxy-4-methyl-4-phenylsulfanylpentanamide
CID 11843077
3-Hydroxy-4-methyl-4-(4-methylphenyl)sulfanylpentanamide
CID 11843224
4-Hydroxy-4-(4-methylphenyl)sulfanylbutanamide
CID 68279673
4-hydroxy-N-(2-phenylsulfanylethoxy)butanamide
CID 141515322
2,4-dihydroxy-3,3-dimethyl-N-(2-phenylsulfanylethoxy)pentanamide
CID 141515323
6-Amino-2-methyl-2-phenylsulfanylhexan-3-ol
CID 11218661
4-Hydroxy-4-methyl-3-(4-methylphenyl)sulfanylpentanamide
CID 11842913
4-Hydroxy-4-methyl-3-phenylsulfanylpentanamide
CID 11843078
4-Hydroxy-3-phenylsulfanylbutanamide
CID 85955083

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-5-phenylsulfanylhexanamide?
The IUPAC name of 4-hydroxy-5-methyl-5-phenylsulfanylhexanamide (CID 11161111) is 4-hydroxy-5-methyl-5-phenylsulfanylhexanamide.
What is the SMILES notation for 4-hydroxy-5-methyl-5-phenylsulfanylhexanamide?
The canonical SMILES for 4-hydroxy-5-methyl-5-phenylsulfanylhexanamide is CC(C)(Sc1ccccc1)C(O)CCC(N)=O.
What is the InChIKey of 4-hydroxy-5-methyl-5-phenylsulfanylhexanamide?
The InChIKey is ARUSHJVWBJIKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-13(2,11(15)8-9-12(14)16)17-10-6-4-3-5-7-10/h3-7,11,15H,8-9H2,1-2H3,(H2,14,16).
What are the key properties of 4-hydroxy-5-methyl-5-phenylsulfanylhexanamide?
4-hydroxy-5-methyl-5-phenylsulfanylhexanamide has a molecular weight of 253.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-5-phenylsulfanylhexanamide is sourced from PubChem (CID 11161111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).