2-hydroxy-N-(4-methylphenyl)tridecane-1-sulfinamide

C20H35NO2S — CID 172851508

IUPAC2-hydroxy-N-(4-methylphenyl)tridecane-1-sulfinamide
SMILESCCCCCCCCCCCC(O)CS(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H35NO2S/c1-3-4-5-6-7-8-9-10-11-12-20(22)17-24(23)21-19-15-13-18(2)14-16-19/h13-16,20-22H,3-12,17H2,1-2H3
InChIKeyYDBIKWMMQWWJBM-UHFFFAOYSA-N
MW353.57 g/mol
LogP5.35
Rot. Bonds14

About 2-hydroxy-N-(4-methylphenyl)tridecane-1-sulfinamide

2-hydroxy-N-(4-methylphenyl)tridecane-1-sulfinamide (PubChem CID 172851508) has the molecular formula C20H35NO2S and a molecular weight of 353.57 g/mol. Its IUPAC name is 2-hydroxy-N-(4-methylphenyl)tridecane-1-sulfinamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-methylphenyl)tridecane-1-sulfinamide
PubChem CID172851508
Molecular FormulaC20H35NO2S
Molecular Weight353.57 g/mol
Exact Mass353.24
IUPAC Name2-hydroxy-N-(4-methylphenyl)tridecane-1-sulfinamide
SMILESCCCCCCCCCCCC(O)CS(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H35NO2S/c1-3-4-5-6-7-8-9-10-11-12-20(22)17-24(23)21-19-15-13-18(2)14-16-19/h13-16,20-22H,3-12,17H2,1-2H3
InChIKeyYDBIKWMMQWWJBM-UHFFFAOYSA-N
XLogP5.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.57
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)octan-2-ol
CID 62607878
1-(4-methylphenyl)dodecan-3-ol
CID 105084894
octane;octan-2-ol;bis(1,4-xylene)
CID 161441445
2-(4-methylanilino)nonanoic acid
CID 63524441
(2S)-1-(4-methylphenyl)sulfanyldodecan-2-ol
CID 11232092
(2R,3S,4R)-3-methyl-1-(4-methylphenyl)sulfinyldecane-2,4-diol
CID 102414482
decan-4-ol;4-methylbenzenesulfonic acid
CID 71369970
2-(4-methylanilino)heptanoic acid
CID 54889807
(2S)-1-(4-methylphenyl)sulfanylheptan-2-ol
CID 102244246
1-methyl-4-propan-2-ylbenzene;octan-3-ol
CID 161348623
[(2R)-2-hydroxydecyl] 4-methylbenzenesulfonate
CID 10019415
(1R,2S)-1-(4-methylphenyl)nonane-1,2-diol
CID 15778520

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-methylphenyl)tridecane-1-sulfinamide?
The IUPAC name of 2-hydroxy-N-(4-methylphenyl)tridecane-1-sulfinamide (CID 172851508) is 2-hydroxy-N-(4-methylphenyl)tridecane-1-sulfinamide.
What is the SMILES notation for 2-hydroxy-N-(4-methylphenyl)tridecane-1-sulfinamide?
The canonical SMILES for 2-hydroxy-N-(4-methylphenyl)tridecane-1-sulfinamide is CCCCCCCCCCCC(O)CS(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-hydroxy-N-(4-methylphenyl)tridecane-1-sulfinamide?
The InChIKey is YDBIKWMMQWWJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2S/c1-3-4-5-6-7-8-9-10-11-12-20(22)17-24(23)21-19-15-13-18(2)14-16-19/h13-16,20-22H,3-12,17H2,1-2H3.
What are the key properties of 2-hydroxy-N-(4-methylphenyl)tridecane-1-sulfinamide?
2-hydroxy-N-(4-methylphenyl)tridecane-1-sulfinamide has a molecular weight of 353.57 g/mol, XLogP of 5.35, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4-methylphenyl)tridecane-1-sulfinamide is sourced from PubChem (CID 172851508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).