(3R)-3-(2-methylbutan-2-ylsulfonylmethyl)oxolane

C10H20O3S — CID 70897085

IUPAC(3R)-3-(2-methylbutan-2-ylsulfonylmethyl)oxolane
SMILESCCC(C)(C)S(=O)(=O)C[C@@H]1CCOC1
InChIInChI=1S/C10H20O3S/c1-4-10(2,3)14(11,12)8-9-5-6-13-7-9/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyBTGPRQFRLQIRMM-SECBINFHSA-N
MW220.33 g/mol
LogP1.63
Rot. Bonds4

About (3R)-3-(2-methylbutan-2-ylsulfonylmethyl)oxolane

(3R)-3-(2-methylbutan-2-ylsulfonylmethyl)oxolane (PubChem CID 70897085) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is (3R)-3-(2-methylbutan-2-ylsulfonylmethyl)oxolane.

Molecular Properties

Compound Name(3R)-3-(2-methylbutan-2-ylsulfonylmethyl)oxolane
PubChem CID70897085
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name(3R)-3-(2-methylbutan-2-ylsulfonylmethyl)oxolane
SMILESCCC(C)(C)S(=O)(=O)C[C@@H]1CCOC1
InChIInChI=1S/C10H20O3S/c1-4-10(2,3)14(11,12)8-9-5-6-13-7-9/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyBTGPRQFRLQIRMM-SECBINFHSA-N
XLogP1.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(2-methylbutan-2-ylsulfonylmethyl)oxolane 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 (3R)-3-(2-methylbutan-2-ylsulfonylmethyl)oxolane?
The IUPAC name of (3R)-3-(2-methylbutan-2-ylsulfonylmethyl)oxolane (CID 70897085) is (3R)-3-(2-methylbutan-2-ylsulfonylmethyl)oxolane.
What is the SMILES notation for (3R)-3-(2-methylbutan-2-ylsulfonylmethyl)oxolane?
The canonical SMILES for (3R)-3-(2-methylbutan-2-ylsulfonylmethyl)oxolane is CCC(C)(C)S(=O)(=O)C[C@@H]1CCOC1.
What is the InChIKey of (3R)-3-(2-methylbutan-2-ylsulfonylmethyl)oxolane?
The InChIKey is BTGPRQFRLQIRMM-SECBINFHSA-N. The full InChI is InChI=1S/C10H20O3S/c1-4-10(2,3)14(11,12)8-9-5-6-13-7-9/h9H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (3R)-3-(2-methylbutan-2-ylsulfonylmethyl)oxolane?
(3R)-3-(2-methylbutan-2-ylsulfonylmethyl)oxolane has a molecular weight of 220.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methylbutan-2-ylsulfonylmethyl)oxolane is sourced from PubChem (CID 70897085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).