(3S)-2,4-dimethyl-3-methylsulfonylpentan-2-ol

C8H18O3S — CID 58469143

IUPAC(3S)-2,4-dimethyl-3-methylsulfonylpentan-2-ol
SMILESCC(C)[C@@H](C(C)(C)O)S(C)(=O)=O
InChIInChI=1S/C8H18O3S/c1-6(2)7(8(3,4)9)12(5,10)11/h6-7,9H,1-5H3/t7-/m0/s1
InChIKeyDMRVUJFAEVICHL-ZETCQYMHSA-N
MW194.30 g/mol
LogP0.83
Rot. Bonds3

About (3S)-2,4-dimethyl-3-methylsulfonylpentan-2-ol

(3S)-2,4-dimethyl-3-methylsulfonylpentan-2-ol (PubChem CID 58469143) has the molecular formula C8H18O3S and a molecular weight of 194.30 g/mol. Its IUPAC name is (3S)-2,4-dimethyl-3-methylsulfonylpentan-2-ol.

Molecular Properties

Compound Name(3S)-2,4-dimethyl-3-methylsulfonylpentan-2-ol
PubChem CID58469143
Molecular FormulaC8H18O3S
Molecular Weight194.30 g/mol
Exact Mass194.10
IUPAC Name(3S)-2,4-dimethyl-3-methylsulfonylpentan-2-ol
SMILESCC(C)[C@@H](C(C)(C)O)S(C)(=O)=O
InChIInChI=1S/C8H18O3S/c1-6(2)7(8(3,4)9)12(5,10)11/h6-7,9H,1-5H3/t7-/m0/s1
InChIKeyDMRVUJFAEVICHL-ZETCQYMHSA-N
XLogP0.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-2,4-dimethyl-3-methylsulfonylpentan-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)-2,4-dimethyl-3-methylsulfonylpentan-2-ol?
The IUPAC name of (3S)-2,4-dimethyl-3-methylsulfonylpentan-2-ol (CID 58469143) is (3S)-2,4-dimethyl-3-methylsulfonylpentan-2-ol.
What is the SMILES notation for (3S)-2,4-dimethyl-3-methylsulfonylpentan-2-ol?
The canonical SMILES for (3S)-2,4-dimethyl-3-methylsulfonylpentan-2-ol is CC(C)[C@@H](C(C)(C)O)S(C)(=O)=O.
What is the InChIKey of (3S)-2,4-dimethyl-3-methylsulfonylpentan-2-ol?
The InChIKey is DMRVUJFAEVICHL-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18O3S/c1-6(2)7(8(3,4)9)12(5,10)11/h6-7,9H,1-5H3/t7-/m0/s1.
What are the key properties of (3S)-2,4-dimethyl-3-methylsulfonylpentan-2-ol?
(3S)-2,4-dimethyl-3-methylsulfonylpentan-2-ol has a molecular weight of 194.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,4-dimethyl-3-methylsulfonylpentan-2-ol is sourced from PubChem (CID 58469143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).