4-hydroxy-N-(3-methylsulfanylpropyl)butanamide

C8H17NO2S — CID 79191399

IUPAC4-hydroxy-N-(3-methylsulfanylpropyl)butanamide
SMILESCSCCCNC(=O)CCCO
InChIInChI=1S/C8H17NO2S/c1-12-7-3-5-9-8(11)4-2-6-10/h10H,2-7H2,1H3,(H,9,11)
InChIKeyJWMSYYSHQMNVJA-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.63
Rot. Bonds7

About 4-hydroxy-N-(3-methylsulfanylpropyl)butanamide

4-hydroxy-N-(3-methylsulfanylpropyl)butanamide (PubChem CID 79191399) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-hydroxy-N-(3-methylsulfanylpropyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-methylsulfanylpropyl)butanamide
PubChem CID79191399
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name4-hydroxy-N-(3-methylsulfanylpropyl)butanamide
SMILESCSCCCNC(=O)CCCO
InChIInChI=1S/C8H17NO2S/c1-12-7-3-5-9-8(11)4-2-6-10/h10H,2-7H2,1H3,(H,9,11)
InChIKeyJWMSYYSHQMNVJA-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hydroxy-N-(3-methylsulfanylpropyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-N-(2-methylsulfanylethyl)pentanamide
CID 79198659
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide
CID 119434267
4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide
CID 155456056
4-hydroxy-N-tetracosylbutanamide
CID 141048355
N-heptadecyl-4-hydroxybutanamide
CID 100934326
N-(2-methylsulfanylethyl)-5-oxopentanamide
CID 58340929
N-(3-hydroxypropyl)docosanamide
CID 87200048
N-(5-methylsulfanylpentyl)propanamide
CID 104920124
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
3-methylsulfanyl-N-propylpropanamide
CID 60637635

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-methylsulfanylpropyl)butanamide?
The IUPAC name of 4-hydroxy-N-(3-methylsulfanylpropyl)butanamide (CID 79191399) is 4-hydroxy-N-(3-methylsulfanylpropyl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(3-methylsulfanylpropyl)butanamide?
The canonical SMILES for 4-hydroxy-N-(3-methylsulfanylpropyl)butanamide is CSCCCNC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-(3-methylsulfanylpropyl)butanamide?
The InChIKey is JWMSYYSHQMNVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-12-7-3-5-9-8(11)4-2-6-10/h10H,2-7H2,1H3,(H,9,11).
What are the key properties of 4-hydroxy-N-(3-methylsulfanylpropyl)butanamide?
4-hydroxy-N-(3-methylsulfanylpropyl)butanamide has a molecular weight of 191.30 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-methylsulfanylpropyl)butanamide is sourced from PubChem (CID 79191399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).