4-hydroxy-4-methyl-3-phenylsulfanylpentanamide

C12H17NO2S — CID 11843078

IUPAC4-hydroxy-4-methyl-3-phenylsulfanylpentanamide
SMILESCC(C)(O)C(CC(N)=O)Sc1ccccc1
InChIInChI=1S/C12H17NO2S/c1-12(2,15)10(8-11(13)14)16-9-6-4-3-5-7-9/h3-7,10,15H,8H2,1-2H3,(H2,13,14)
InChIKeyCPTFVGZSGXWKCS-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.79
Rot. Bonds5

About 4-hydroxy-4-methyl-3-phenylsulfanylpentanamide

4-hydroxy-4-methyl-3-phenylsulfanylpentanamide (PubChem CID 11843078) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-hydroxy-4-methyl-3-phenylsulfanylpentanamide.

Molecular Properties

Compound Name4-hydroxy-4-methyl-3-phenylsulfanylpentanamide
PubChem CID11843078
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name4-hydroxy-4-methyl-3-phenylsulfanylpentanamide
SMILESCC(C)(O)C(CC(N)=O)Sc1ccccc1
InChIInChI=1S/C12H17NO2S/c1-12(2,15)10(8-11(13)14)16-9-6-4-3-5-7-9/h3-7,10,15H,8H2,1-2H3,(H2,13,14)
InChIKeyCPTFVGZSGXWKCS-UHFFFAOYSA-N
XLogP1.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxy-4-methyl-4-phenylsulfanylpentanamide
CID 11843077
4-Methyl-3-oxo-4-(phenylsulfanyl)pentanamide
CID 91721054
2-(1-Phenylsulfanylethyl)cyclopent-3-ene-1-carboxamide
CID 21551969
3-Methyl-5-phenylsulfanylpentanamide
CID 57232300
4-Hydroxy-4-(4-methylphenyl)sulfanylbutanamide
CID 68279673
N-hydroxy-2-phenylsulfanylhexanamide
CID 88127127
N-hydroxy-2-(phenylsulfanylmethyl)hexanamide
CID 88136307
2-Phenylsulfanylpentanamide
CID 140812068
4-hydroxy-N-(2-phenylsulfanylethoxy)butanamide
CID 141515322
N-hydroxy-5-methyl-2-(phenylsulfanylmethyl)hexanamide
CID 154245759
2,2-Dimethyl-5-phenylsulfanylpentanamide
CID 174516865
(2S)-2-hydroxy-2-[(1R)-1-(4-methylphenyl)sulfanylethyl]pentanamide
CID 9970218

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methyl-3-phenylsulfanylpentanamide?
The IUPAC name of 4-hydroxy-4-methyl-3-phenylsulfanylpentanamide (CID 11843078) is 4-hydroxy-4-methyl-3-phenylsulfanylpentanamide.
What is the SMILES notation for 4-hydroxy-4-methyl-3-phenylsulfanylpentanamide?
The canonical SMILES for 4-hydroxy-4-methyl-3-phenylsulfanylpentanamide is CC(C)(O)C(CC(N)=O)Sc1ccccc1.
What is the InChIKey of 4-hydroxy-4-methyl-3-phenylsulfanylpentanamide?
The InChIKey is CPTFVGZSGXWKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(2,15)10(8-11(13)14)16-9-6-4-3-5-7-9/h3-7,10,15H,8H2,1-2H3,(H2,13,14).
What are the key properties of 4-hydroxy-4-methyl-3-phenylsulfanylpentanamide?
4-hydroxy-4-methyl-3-phenylsulfanylpentanamide has a molecular weight of 239.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methyl-3-phenylsulfanylpentanamide is sourced from PubChem (CID 11843078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).