(3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane

C11H24O2S — CID 58573491

IUPAC(3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane
SMILESCC[C@@H](CS(=O)(=O)C(C)C)C(C)(C)C
InChIInChI=1S/C11H24O2S/c1-7-10(11(4,5)6)8-14(12,13)9(2)3/h9-10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyNQIDADZHQYTQDG-JTQLQIEISA-N
MW220.38 g/mol
LogP2.88
Rot. Bonds4

About (3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane

(3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane (PubChem CID 58573491) has the molecular formula C11H24O2S and a molecular weight of 220.38 g/mol. Its IUPAC name is (3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane.

Molecular Properties

Compound Name(3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane
PubChem CID58573491
Molecular FormulaC11H24O2S
Molecular Weight220.38 g/mol
Exact Mass220.15
IUPAC Name(3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane
SMILESCC[C@@H](CS(=O)(=O)C(C)C)C(C)(C)C
InChIInChI=1S/C11H24O2S/c1-7-10(11(4,5)6)8-14(12,13)9(2)3/h9-10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyNQIDADZHQYTQDG-JTQLQIEISA-N
XLogP2.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane 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)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane?
The IUPAC name of (3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane (CID 58573491) is (3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane.
What is the SMILES notation for (3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane?
The canonical SMILES for (3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane is CC[C@@H](CS(=O)(=O)C(C)C)C(C)(C)C.
What is the InChIKey of (3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane?
The InChIKey is NQIDADZHQYTQDG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24O2S/c1-7-10(11(4,5)6)8-14(12,13)9(2)3/h9-10H,7-8H2,1-6H3/t10-/m0/s1.
What are the key properties of (3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane?
(3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane has a molecular weight of 220.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane is sourced from PubChem (CID 58573491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).