(3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol

C9H20O2S — CID 58468994

IUPAC(3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol
SMILESCCS(=O)[C@@H](C(C)C)C(C)(C)O
InChIInChI=1S/C9H20O2S/c1-6-12(11)8(7(2)3)9(4,5)10/h7-8,10H,6H2,1-5H3/t8-,12?/m0/s1
InChIKeyMDQPIZHEIVCZEZ-KBPLZSHQSA-N
MW192.32 g/mol
LogP1.55
Rot. Bonds4

About (3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol

(3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol (PubChem CID 58468994) has the molecular formula C9H20O2S and a molecular weight of 192.32 g/mol. Its IUPAC name is (3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name(3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol
PubChem CID58468994
Molecular FormulaC9H20O2S
Molecular Weight192.32 g/mol
Exact Mass192.12
IUPAC Name(3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol
SMILESCCS(=O)[C@@H](C(C)C)C(C)(C)O
InChIInChI=1S/C9H20O2S/c1-6-12(11)8(7(2)3)9(4,5)10/h7-8,10H,6H2,1-5H3/t8-,12?/m0/s1
InChIKeyMDQPIZHEIVCZEZ-KBPLZSHQSA-N
XLogP1.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol 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 (3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol?
The IUPAC name of (3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol (CID 58468994) is (3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol.
What is the SMILES notation for (3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol?
The canonical SMILES for (3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol is CCS(=O)[C@@H](C(C)C)C(C)(C)O.
What is the InChIKey of (3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol?
The InChIKey is MDQPIZHEIVCZEZ-KBPLZSHQSA-N. The full InChI is InChI=1S/C9H20O2S/c1-6-12(11)8(7(2)3)9(4,5)10/h7-8,10H,6H2,1-5H3/t8-,12?/m0/s1.
What are the key properties of (3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol?
(3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol has a molecular weight of 192.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 58468994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).