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

C9H20O3S — CID 58469109

IUPAC(3S)-3-ethylsulfonyl-2,4-dimethylpentan-2-ol
SMILESCCS(=O)(=O)[C@@H](C(C)C)C(C)(C)O
InChIInChI=1S/C9H20O3S/c1-6-13(11,12)8(7(2)3)9(4,5)10/h7-8,10H,6H2,1-5H3/t8-/m0/s1
InChIKeySUZUZVJBQZXXRQ-QMMMGPOBSA-N
MW208.32 g/mol
LogP1.22
Rot. Bonds4

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

(3S)-3-ethylsulfonyl-2,4-dimethylpentan-2-ol (PubChem CID 58469109) has the molecular formula C9H20O3S and a molecular weight of 208.32 g/mol. Its IUPAC name is (3S)-3-ethylsulfonyl-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name(3S)-3-ethylsulfonyl-2,4-dimethylpentan-2-ol
PubChem CID58469109
Molecular FormulaC9H20O3S
Molecular Weight208.32 g/mol
Exact Mass208.11
IUPAC Name(3S)-3-ethylsulfonyl-2,4-dimethylpentan-2-ol
SMILESCCS(=O)(=O)[C@@H](C(C)C)C(C)(C)O
InChIInChI=1S/C9H20O3S/c1-6-13(11,12)8(7(2)3)9(4,5)10/h7-8,10H,6H2,1-5H3/t8-/m0/s1
InChIKeySUZUZVJBQZXXRQ-QMMMGPOBSA-N
XLogP1.22
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-ethylsulfonyl-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-ethylsulfonyl-2,4-dimethylpentan-2-ol?
The IUPAC name of (3S)-3-ethylsulfonyl-2,4-dimethylpentan-2-ol (CID 58469109) is (3S)-3-ethylsulfonyl-2,4-dimethylpentan-2-ol.
What is the SMILES notation for (3S)-3-ethylsulfonyl-2,4-dimethylpentan-2-ol?
The canonical SMILES for (3S)-3-ethylsulfonyl-2,4-dimethylpentan-2-ol is CCS(=O)(=O)[C@@H](C(C)C)C(C)(C)O.
What is the InChIKey of (3S)-3-ethylsulfonyl-2,4-dimethylpentan-2-ol?
The InChIKey is SUZUZVJBQZXXRQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20O3S/c1-6-13(11,12)8(7(2)3)9(4,5)10/h7-8,10H,6H2,1-5H3/t8-/m0/s1.
What are the key properties of (3S)-3-ethylsulfonyl-2,4-dimethylpentan-2-ol?
(3S)-3-ethylsulfonyl-2,4-dimethylpentan-2-ol has a molecular weight of 208.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethylsulfonyl-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 58469109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).