6-(4-methylphenyl)sulfinylhexanamide

C13H19NO2S — CID 142725989

IUPAC6-(4-methylphenyl)sulfinylhexanamide
SMILESCc1ccc(S(=O)CCCCCC(N)=O)cc1
InChIInChI=1S/C13H19NO2S/c1-11-6-8-12(9-7-11)17(16)10-4-2-3-5-13(14)15/h6-9H,2-5,10H2,1H3,(H2,14,15)
InChIKeyGRUBHUPZGMNULP-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.15
Rot. Bonds7

About 6-(4-methylphenyl)sulfinylhexanamide

6-(4-methylphenyl)sulfinylhexanamide (PubChem CID 142725989) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 6-(4-methylphenyl)sulfinylhexanamide.

Molecular Properties

Compound Name6-(4-methylphenyl)sulfinylhexanamide
PubChem CID142725989
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name6-(4-methylphenyl)sulfinylhexanamide
SMILESCc1ccc(S(=O)CCCCCC(N)=O)cc1
InChIInChI=1S/C13H19NO2S/c1-11-6-8-12(9-7-11)17(16)10-4-2-3-5-13(14)15/h6-9H,2-5,10H2,1H3,(H2,14,15)
InChIKeyGRUBHUPZGMNULP-UHFFFAOYSA-N
XLogP2.15
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
6-Benzenesulfinylhexanoic acid hydroxamide
CID 11694528
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
Benzamide, p-(isopropylsulfonyl)-
CID 210035
2-Cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide
CID 162652807

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)sulfinylhexanamide?
The IUPAC name of 6-(4-methylphenyl)sulfinylhexanamide (CID 142725989) is 6-(4-methylphenyl)sulfinylhexanamide.
What is the SMILES notation for 6-(4-methylphenyl)sulfinylhexanamide?
The canonical SMILES for 6-(4-methylphenyl)sulfinylhexanamide is Cc1ccc(S(=O)CCCCCC(N)=O)cc1.
What is the InChIKey of 6-(4-methylphenyl)sulfinylhexanamide?
The InChIKey is GRUBHUPZGMNULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-11-6-8-12(9-7-11)17(16)10-4-2-3-5-13(14)15/h6-9H,2-5,10H2,1H3,(H2,14,15).
What are the key properties of 6-(4-methylphenyl)sulfinylhexanamide?
6-(4-methylphenyl)sulfinylhexanamide has a molecular weight of 253.37 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)sulfinylhexanamide is sourced from PubChem (CID 142725989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).