2,2-dimethyl-3-methylsulfonylpropane-1-sulfonamide

C6H15NO4S2 — CID 165485766

IUPAC2,2-dimethyl-3-methylsulfonylpropane-1-sulfonamide
SMILESCC(C)(CS(C)(=O)=O)CS(N)(=O)=O
InChIInChI=1S/C6H15NO4S2/c1-6(2,4-12(3,8)9)5-13(7,10)11/h4-5H2,1-3H3,(H2,7,10,11)
InChIKeyDSNVLTZTVCTEHU-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.65
Rot. Bonds4

About 2,2-dimethyl-3-methylsulfonylpropane-1-sulfonamide

2,2-dimethyl-3-methylsulfonylpropane-1-sulfonamide (PubChem CID 165485766) has the molecular formula C6H15NO4S2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-methylsulfonylpropane-1-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-3-methylsulfonylpropane-1-sulfonamide
PubChem CID165485766
Molecular FormulaC6H15NO4S2
Molecular Weight229.32 g/mol
Exact Mass229.04
IUPAC Name2,2-dimethyl-3-methylsulfonylpropane-1-sulfonamide
SMILESCC(C)(CS(C)(=O)=O)CS(N)(=O)=O
InChIInChI=1S/C6H15NO4S2/c1-6(2,4-12(3,8)9)5-13(7,10)11/h4-5H2,1-3H3,(H2,7,10,11)
InChIKeyDSNVLTZTVCTEHU-UHFFFAOYSA-N
XLogP-0.65
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-3-methylsulfonylpropane-1-sulfonamide 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 2,2-dimethyl-3-methylsulfonylpropane-1-sulfonamide?
The IUPAC name of 2,2-dimethyl-3-methylsulfonylpropane-1-sulfonamide (CID 165485766) is 2,2-dimethyl-3-methylsulfonylpropane-1-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-3-methylsulfonylpropane-1-sulfonamide?
The canonical SMILES for 2,2-dimethyl-3-methylsulfonylpropane-1-sulfonamide is CC(C)(CS(C)(=O)=O)CS(N)(=O)=O.
What is the InChIKey of 2,2-dimethyl-3-methylsulfonylpropane-1-sulfonamide?
The InChIKey is DSNVLTZTVCTEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO4S2/c1-6(2,4-12(3,8)9)5-13(7,10)11/h4-5H2,1-3H3,(H2,7,10,11).
What are the key properties of 2,2-dimethyl-3-methylsulfonylpropane-1-sulfonamide?
2,2-dimethyl-3-methylsulfonylpropane-1-sulfonamide has a molecular weight of 229.32 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-methylsulfonylpropane-1-sulfonamide is sourced from PubChem (CID 165485766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).