(2S)-2-hydroxy-2-[(1S)-1-(4-methylphenyl)sulfanylethyl]pentanamide

C14H21NO2S — CID 10084348

IUPAC(2S)-2-hydroxy-2-[(1S)-1-(4-methylphenyl)sulfanylethyl]pentanamide
SMILESCCC[C@](O)(C(N)=O)[C@H](C)Sc1ccc(C)cc1
InChIInChI=1S/C14H21NO2S/c1-4-9-14(17,13(15)16)11(3)18-12-7-5-10(2)6-8-12/h5-8,11,17H,4,9H2,1-3H3,(H2,15,16)/t11-,14+/m0/s1
InChIKeyHVGAIMQYOLDLQG-SMDDNHRTSA-N
MW267.39 g/mol
LogP2.49
Rot. Bonds6

About (2S)-2-hydroxy-2-[(1S)-1-(4-methylphenyl)sulfanylethyl]pentanamide

(2S)-2-hydroxy-2-[(1S)-1-(4-methylphenyl)sulfanylethyl]pentanamide (PubChem CID 10084348) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-[(1S)-1-(4-methylphenyl)sulfanylethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-[(1S)-1-(4-methylphenyl)sulfanylethyl]pentanamide
PubChem CID10084348
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(2S)-2-hydroxy-2-[(1S)-1-(4-methylphenyl)sulfanylethyl]pentanamide
SMILESCCC[C@](O)(C(N)=O)[C@H](C)Sc1ccc(C)cc1
InChIInChI=1S/C14H21NO2S/c1-4-9-14(17,13(15)16)11(3)18-12-7-5-10(2)6-8-12/h5-8,11,17H,4,9H2,1-3H3,(H2,15,16)/t11-,14+/m0/s1
InChIKeyHVGAIMQYOLDLQG-SMDDNHRTSA-N
XLogP2.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hexanamide
CID 11196428
3-Hydroxy-4-methyl-4-(4-methylphenyl)sulfanylpentanamide
CID 11843224
methyl (5S)-6-amino-5-hydroxy-5-[(4-methylphenyl)sulfanylmethyl]-6-oxohexanoate
CID 25000332
3-[4-(3-Methylbutylsulfanyl)phenyl]propanamide
CID 20572934
4-Hydroxy-4-(4-methylphenyl)sulfanylbutanamide
CID 68279673
2-Hydroxy-4-(2-methylphenyl)sulfanylbutanamide
CID 68279674
N-hydroxy-4-(4-methylphenyl)sulfanylbutanamide
CID 88920342
3-Benzylsulfanyl-2-hydroxy-3-methylbutanamide
CID 139930593
2-Methyl-2-[(4-methylphenyl)sulfanylmethyl]butanamide
CID 141389448
6-(4-Methylphenyl)sulfinylhexanamide
CID 142725989
2-Hydroxy-3-methyl-2-(2-phenylethylsulfinyl)butanamide
CID 153812014
(2S)-2-hydroxy-2-[(1R)-1-(4-methylphenyl)sulfanylethyl]pentanamide
CID 9970218

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-[(1S)-1-(4-methylphenyl)sulfanylethyl]pentanamide?
The IUPAC name of (2S)-2-hydroxy-2-[(1S)-1-(4-methylphenyl)sulfanylethyl]pentanamide (CID 10084348) is (2S)-2-hydroxy-2-[(1S)-1-(4-methylphenyl)sulfanylethyl]pentanamide.
What is the SMILES notation for (2S)-2-hydroxy-2-[(1S)-1-(4-methylphenyl)sulfanylethyl]pentanamide?
The canonical SMILES for (2S)-2-hydroxy-2-[(1S)-1-(4-methylphenyl)sulfanylethyl]pentanamide is CCC[C@](O)(C(N)=O)[C@H](C)Sc1ccc(C)cc1.
What is the InChIKey of (2S)-2-hydroxy-2-[(1S)-1-(4-methylphenyl)sulfanylethyl]pentanamide?
The InChIKey is HVGAIMQYOLDLQG-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-4-9-14(17,13(15)16)11(3)18-12-7-5-10(2)6-8-12/h5-8,11,17H,4,9H2,1-3H3,(H2,15,16)/t11-,14+/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-[(1S)-1-(4-methylphenyl)sulfanylethyl]pentanamide?
(2S)-2-hydroxy-2-[(1S)-1-(4-methylphenyl)sulfanylethyl]pentanamide has a molecular weight of 267.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-[(1S)-1-(4-methylphenyl)sulfanylethyl]pentanamide is sourced from PubChem (CID 10084348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).