2-methylsulfonylpropane-1-sulfonamide

C4H11NO4S2 — CID 57140571

IUPAC2-methylsulfonylpropane-1-sulfonamide
SMILESCC(CS(N)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C4H11NO4S2/c1-4(10(2,6)7)3-11(5,8)9/h4H,3H2,1-2H3,(H2,5,8,9)
InChIKeyICKOFUYGJQOKAW-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.29
Rot. Bonds3

About 2-methylsulfonylpropane-1-sulfonamide

2-methylsulfonylpropane-1-sulfonamide (PubChem CID 57140571) has the molecular formula C4H11NO4S2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methylsulfonylpropane-1-sulfonamide.

Molecular Properties

Compound Name2-methylsulfonylpropane-1-sulfonamide
PubChem CID57140571
Molecular FormulaC4H11NO4S2
Molecular Weight201.27 g/mol
Exact Mass201.01
IUPAC Name2-methylsulfonylpropane-1-sulfonamide
SMILESCC(CS(N)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C4H11NO4S2/c1-4(10(2,6)7)3-11(5,8)9/h4H,3H2,1-2H3,(H2,5,8,9)
InChIKeyICKOFUYGJQOKAW-UHFFFAOYSA-N
XLogP-1.29
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-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-methylsulfonylpropane-1-sulfonamide?
The IUPAC name of 2-methylsulfonylpropane-1-sulfonamide (CID 57140571) is 2-methylsulfonylpropane-1-sulfonamide.
What is the SMILES notation for 2-methylsulfonylpropane-1-sulfonamide?
The canonical SMILES for 2-methylsulfonylpropane-1-sulfonamide is CC(CS(N)(=O)=O)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonylpropane-1-sulfonamide?
The InChIKey is ICKOFUYGJQOKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO4S2/c1-4(10(2,6)7)3-11(5,8)9/h4H,3H2,1-2H3,(H2,5,8,9).
What are the key properties of 2-methylsulfonylpropane-1-sulfonamide?
2-methylsulfonylpropane-1-sulfonamide has a molecular weight of 201.27 g/mol, XLogP of -1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylpropane-1-sulfonamide is sourced from PubChem (CID 57140571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).