5-hydroxy-N-(2-methylsulfanylethyl)pentanamide

C8H17NO2S — CID 79198659

IUPAC5-hydroxy-N-(2-methylsulfanylethyl)pentanamide
SMILESCSCCNC(=O)CCCCO
InChIInChI=1S/C8H17NO2S/c1-12-7-5-9-8(11)4-2-3-6-10/h10H,2-7H2,1H3,(H,9,11)
InChIKeyLSYGQDNVNJUUGF-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.63
Rot. Bonds7

About 5-hydroxy-N-(2-methylsulfanylethyl)pentanamide

5-hydroxy-N-(2-methylsulfanylethyl)pentanamide (PubChem CID 79198659) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 5-hydroxy-N-(2-methylsulfanylethyl)pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-(2-methylsulfanylethyl)pentanamide
PubChem CID79198659
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name5-hydroxy-N-(2-methylsulfanylethyl)pentanamide
SMILESCSCCNC(=O)CCCCO
InChIInChI=1S/C8H17NO2S/c1-12-7-5-9-8(11)4-2-3-6-10/h10H,2-7H2,1H3,(H,9,11)
InChIKeyLSYGQDNVNJUUGF-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 5-hydroxy-N-(2-methylsulfanylethyl)pentanamide 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

4-hydroxy-N-(3-methylsulfanylpropyl)butanamide
CID 79191399
N-(2-methylsulfanylethyl)-5-oxopentanamide
CID 58340929
N-(2-acetamidoethyl)-5-hydroxypentanamide
CID 79199978
5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 79209725
4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
6-hydroxy-N-tetradecylhexanamide
CID 20542961
N-butyl-6-hydroxyhexanamide;ethane
CID 145076581
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide
CID 119434267
4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide
CID 155456056
N-(3-hydroxypropyl)docosanamide
CID 87200048

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(2-methylsulfanylethyl)pentanamide?
The IUPAC name of 5-hydroxy-N-(2-methylsulfanylethyl)pentanamide (CID 79198659) is 5-hydroxy-N-(2-methylsulfanylethyl)pentanamide.
What is the SMILES notation for 5-hydroxy-N-(2-methylsulfanylethyl)pentanamide?
The canonical SMILES for 5-hydroxy-N-(2-methylsulfanylethyl)pentanamide is CSCCNC(=O)CCCCO.
What is the InChIKey of 5-hydroxy-N-(2-methylsulfanylethyl)pentanamide?
The InChIKey is LSYGQDNVNJUUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-12-7-5-9-8(11)4-2-3-6-10/h10H,2-7H2,1H3,(H,9,11).
What are the key properties of 5-hydroxy-N-(2-methylsulfanylethyl)pentanamide?
5-hydroxy-N-(2-methylsulfanylethyl)pentanamide 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 5-hydroxy-N-(2-methylsulfanylethyl)pentanamide is sourced from PubChem (CID 79198659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).