4-(3-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbutanamide

C10H21NO2S — CID 103520069

IUPAC4-(3-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbutanamide
SMILESCC(O)C(C)SCCCC(=O)N(C)C
InChIInChI=1S/C10H21NO2S/c1-8(12)9(2)14-7-5-6-10(13)11(3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyQIXCVIXITCKCJW-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.36
Rot. Bonds6

About 4-(3-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbutanamide

4-(3-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbutanamide (PubChem CID 103520069) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-(3-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(3-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbutanamide
PubChem CID103520069
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-(3-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbutanamide
SMILESCC(O)C(C)SCCCC(=O)N(C)C
InChIInChI=1S/C10H21NO2S/c1-8(12)9(2)14-7-5-6-10(13)11(3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyQIXCVIXITCKCJW-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbutanamide?
The IUPAC name of 4-(3-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbutanamide (CID 103520069) is 4-(3-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(3-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(3-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbutanamide is CC(O)C(C)SCCCC(=O)N(C)C.
What is the InChIKey of 4-(3-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbutanamide?
The InChIKey is QIXCVIXITCKCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(12)9(2)14-7-5-6-10(13)11(3)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 4-(3-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbutanamide?
4-(3-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbutanamide has a molecular weight of 219.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxybutan-2-ylsulfanyl)-N,N-dimethylbutanamide is sourced from PubChem (CID 103520069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).