2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide

C12H25NO2S — CID 103705836

IUPAC2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)SC(C)C(C)O
InChIInChI=1S/C12H25NO2S/c1-6-7-8(2)13-12(15)11(5)16-10(4)9(3)14/h8-11,14H,6-7H2,1-5H3,(H,13,15)
InChIKeyWMMAJGLOHIXLPA-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.18
Rot. Bonds7

About 2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide

2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide (PubChem CID 103705836) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide
PubChem CID103705836
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)SC(C)C(C)O
InChIInChI=1S/C12H25NO2S/c1-6-7-8(2)13-12(15)11(5)16-10(4)9(3)14/h8-11,14H,6-7H2,1-5H3,(H,13,15)
InChIKeyWMMAJGLOHIXLPA-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide 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

2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide
CID 103706063
2-bromo-N-pentan-2-ylpropanamide
CID 81222887
2-iodo-N-pentan-2-ylbutanamide
CID 149238445
(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide
CID 61148058
2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide
CID 130321877
N-butan-2-yl-2-propylpentanamide
CID 115532227
2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid
CID 43467311
2-[(1-hydroxycyclopentyl)methylamino]-N-pentan-2-ylpropanamide
CID 65109113
2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 61360215
2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162
2-(3-methylpentan-3-ylamino)-N-pentan-2-ylpropanamide
CID 106328554
N-(4-hydroxybutan-2-yl)-2-methylpentanamide
CID 81042782

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide (CID 103705836) is 2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)SC(C)C(C)O.
What is the InChIKey of 2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide?
The InChIKey is WMMAJGLOHIXLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-6-7-8(2)13-12(15)11(5)16-10(4)9(3)14/h8-11,14H,6-7H2,1-5H3,(H,13,15).
What are the key properties of 2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide?
2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide has a molecular weight of 247.40 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 103705836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).