3-ethylsulfanyl-N-(1-hydroxypropan-2-yl)propanamide

C8H17NO2S — CID 91439185

IUPAC3-ethylsulfanyl-N-(1-hydroxypropan-2-yl)propanamide
SMILESCCSCCC(=O)NC(C)CO
InChIInChI=1S/C8H17NO2S/c1-3-12-5-4-8(11)9-7(2)6-10/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyNECHOEWULZNQGX-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.63
Rot. Bonds6

About 3-ethylsulfanyl-N-(1-hydroxypropan-2-yl)propanamide

3-ethylsulfanyl-N-(1-hydroxypropan-2-yl)propanamide (PubChem CID 91439185) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-(1-hydroxypropan-2-yl)propanamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-(1-hydroxypropan-2-yl)propanamide
PubChem CID91439185
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-ethylsulfanyl-N-(1-hydroxypropan-2-yl)propanamide
SMILESCCSCCC(=O)NC(C)CO
InChIInChI=1S/C8H17NO2S/c1-3-12-5-4-8(11)9-7(2)6-10/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyNECHOEWULZNQGX-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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 3-ethylsulfanyl-N-(1-hydroxypropan-2-yl)propanamide 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

N-Acetyl-S-(3-hydroxypropyl)-DL-cysteine
CID 3371179
S-(3-Hydroxypropyl)Cysteine N-Acetate
CID 119083
2-Acetamido-3-butylsulfanylpropanoic acid
CID 64141041
Entadamide B
CID 3035981
N-Acetyl-S-(2-hydroxyethyl)-L-cysteine
CID 108009
3-Acetamido-2-hydroxytetrahydrothiophene
CID 194471
N-Acetyl-5-(3-hydroxybutyl)-L-cysteine
CID 54149627
N-acetyl-S-(3-hydroxypropyl-1-methyl)-l-cysteine
CID 107774684
2-amino-N-(2-hydroxyethyl)-3-(methylsulfanyl)propanamide hydrochloride
CID 154577107
N-Acetyl-S-{2-[(2-hydroxyethyl)amino]-2-oxoethyl}-L-cysteine
CID 54016852
S-(b-hydroxyethyl)-N-acetylcysteine
CID 3596578
2-fluoro-N-[(2R)-1-hydroxy-3-methylsulfanylbutan-2-yl]acetamide
CID 126707951

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-(1-hydroxypropan-2-yl)propanamide?
The IUPAC name of 3-ethylsulfanyl-N-(1-hydroxypropan-2-yl)propanamide (CID 91439185) is 3-ethylsulfanyl-N-(1-hydroxypropan-2-yl)propanamide.
What is the SMILES notation for 3-ethylsulfanyl-N-(1-hydroxypropan-2-yl)propanamide?
The canonical SMILES for 3-ethylsulfanyl-N-(1-hydroxypropan-2-yl)propanamide is CCSCCC(=O)NC(C)CO.
What is the InChIKey of 3-ethylsulfanyl-N-(1-hydroxypropan-2-yl)propanamide?
The InChIKey is NECHOEWULZNQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-12-5-4-8(11)9-7(2)6-10/h7,10H,3-6H2,1-2H3,(H,9,11).
What are the key properties of 3-ethylsulfanyl-N-(1-hydroxypropan-2-yl)propanamide?
3-ethylsulfanyl-N-(1-hydroxypropan-2-yl)propanamide has a molecular weight of 191.30 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-(1-hydroxypropan-2-yl)propanamide is sourced from PubChem (CID 91439185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).