(2S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hexanamide

C14H21NO2S — CID 11196428

IUPAC(2S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hexanamide
SMILESCCCC[C@H](C[S@](=O)c1ccc(C)cc1)C(N)=O
InChIInChI=1S/C14H21NO2S/c1-3-4-5-12(14(15)16)10-18(17)13-8-6-11(2)7-9-13/h6-9,12H,3-5,10H2,1-2H3,(H2,15,16)/t12-,18+/m1/s1
InChIKeyIGIASCDLBZRITE-XIKOKIGWSA-N
MW267.39 g/mol
LogP2.39
Rot. Bonds7

About (2S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hexanamide

(2S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hexanamide (PubChem CID 11196428) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (2S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hexanamide
PubChem CID11196428
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(2S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hexanamide
SMILESCCCC[C@H](C[S@](=O)c1ccc(C)cc1)C(N)=O
InChIInChI=1S/C14H21NO2S/c1-3-4-5-12(14(15)16)10-18(17)13-8-6-11(2)7-9-13/h6-9,12H,3-5,10H2,1-2H3,(H2,15,16)/t12-,18+/m1/s1
InChIKeyIGIASCDLBZRITE-XIKOKIGWSA-N
XLogP2.39
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-((4-Methylphenyl)sulfonyl)acetamide
CID 104164
3-Benzenesulfinyl-heptanoic acid hydroxyamide
CID 9816867
N-(4-methylphenyl)sulfonylcyclohexanecarboxamide
CID 4879102
5-Methyl-2-(3-methyl-but-2-enyl)-2-(toluene-4-sulfonyl)-hex-4-enoic acid hydroxyamide
CID 11760296
Acetamide, 2-(p-tolylthio)-
CID 51918
3-Phenylmethanesulfonyl-heptanoic acid hydroxyamide
CID 10661884
1-(Phenylsulfonyl)cyclohexanecarboxamide
CID 764996
Benzeneacetamide, 4-((1-methylethyl)thio)-
CID 827349
Acetohydroxamic acid, 2-(p-butylthio)phenyl-
CID 16946
N'-{2-[(4-methylphenyl)thio]acetyl}cyclohexanecarbohydrazide
CID 974699
2-Cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide
CID 162652807
3-(Benzylsulfonyl)-2-methylpropanamide
CID 335544

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hexanamide?
The IUPAC name of (2S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hexanamide (CID 11196428) is (2S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hexanamide.
What is the SMILES notation for (2S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hexanamide?
The canonical SMILES for (2S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hexanamide is CCCC[C@H](C[S@](=O)c1ccc(C)cc1)C(N)=O.
What is the InChIKey of (2S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hexanamide?
The InChIKey is IGIASCDLBZRITE-XIKOKIGWSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-4-5-12(14(15)16)10-18(17)13-8-6-11(2)7-9-13/h6-9,12H,3-5,10H2,1-2H3,(H2,15,16)/t12-,18+/m1/s1.
What are the key properties of (2S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hexanamide?
(2S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hexanamide has a molecular weight of 267.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hexanamide is sourced from PubChem (CID 11196428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).