2-methyl-2-methylsulfonylpentane

C7H16O2S — CID 58153427

IUPAC2-methyl-2-methylsulfonylpentane
SMILESCCCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C7H16O2S/c1-5-6-7(2,3)10(4,8)9/h5-6H2,1-4H3
InChIKeyPXWJXRZUGAPWLT-UHFFFAOYSA-N
MW164.27 g/mol
LogP1.61
Rot. Bonds3

About 2-methyl-2-methylsulfonylpentane

2-methyl-2-methylsulfonylpentane (PubChem CID 58153427) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonylpentane.

Molecular Properties

Compound Name2-methyl-2-methylsulfonylpentane
PubChem CID58153427
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name2-methyl-2-methylsulfonylpentane
SMILESCCCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C7H16O2S/c1-5-6-7(2,3)10(4,8)9/h5-6H2,1-4H3
InChIKeyPXWJXRZUGAPWLT-UHFFFAOYSA-N
XLogP1.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-methylsulfonylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-methylsulfonylbutane
CID 20813325
2-methylpentane-2-sulfonyl bromide
CID 22935886
N,2-dimethylpentane-2-sulfonamide
CID 173242989
N-hydroxy-2-methyl-2-methylsulfonylpentanamide
CID 155407178
N-methyl-2-methylsulfonyl-2-propylpentan-1-amine
CID 62595292
1-(2-methyl-2-methylsulfonylpropyl)-3-propylthiourea
CID 115675105
2-methylpentan-2-amine;sulfuric acid
CID 174200327
2-methylpentan-2-ylsilyl methanesulfonate
CID 174845745
4-(2-methylpentan-2-ylsulfonyl)morpholine
CID 138601822
CID 101008751
CID 101008751
2-(hydroxymethyl)-2-propylpropane-1,3-diol;methanesulfonic acid
CID 86744882
3-methylhexane-3-sulfonamide
CID 57466986

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonylpentane?
The IUPAC name of 2-methyl-2-methylsulfonylpentane (CID 58153427) is 2-methyl-2-methylsulfonylpentane.
What is the SMILES notation for 2-methyl-2-methylsulfonylpentane?
The canonical SMILES for 2-methyl-2-methylsulfonylpentane is CCCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonylpentane?
The InChIKey is PXWJXRZUGAPWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2S/c1-5-6-7(2,3)10(4,8)9/h5-6H2,1-4H3.
What are the key properties of 2-methyl-2-methylsulfonylpentane?
2-methyl-2-methylsulfonylpentane has a molecular weight of 164.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonylpentane is sourced from PubChem (CID 58153427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).