3-methylsulfonylpropane-1-sulfonamide

C4H11NO4S2 — CID 58132593

IUPAC3-methylsulfonylpropane-1-sulfonamide
SMILESCS(=O)(=O)CCCS(N)(=O)=O
InChIInChI=1S/C4H11NO4S2/c1-10(6,7)3-2-4-11(5,8)9/h2-4H2,1H3,(H2,5,8,9)
InChIKeyQAZZSBPFRXXQPY-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.29
Rot. Bonds4

About 3-methylsulfonylpropane-1-sulfonamide

3-methylsulfonylpropane-1-sulfonamide (PubChem CID 58132593) has the molecular formula C4H11NO4S2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-methylsulfonylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-methylsulfonylpropane-1-sulfonamide
PubChem CID58132593
Molecular FormulaC4H11NO4S2
Molecular Weight201.27 g/mol
Exact Mass201.01
IUPAC Name3-methylsulfonylpropane-1-sulfonamide
SMILESCS(=O)(=O)CCCS(N)(=O)=O
InChIInChI=1S/C4H11NO4S2/c1-10(6,7)3-2-4-11(5,8)9/h2-4H2,1H3,(H2,5,8,9)
InChIKeyQAZZSBPFRXXQPY-UHFFFAOYSA-N
XLogP-1.29
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonylpropane-1-sulfonamide?
The IUPAC name of 3-methylsulfonylpropane-1-sulfonamide (CID 58132593) is 3-methylsulfonylpropane-1-sulfonamide.
What is the SMILES notation for 3-methylsulfonylpropane-1-sulfonamide?
The canonical SMILES for 3-methylsulfonylpropane-1-sulfonamide is CS(=O)(=O)CCCS(N)(=O)=O.
What is the InChIKey of 3-methylsulfonylpropane-1-sulfonamide?
The InChIKey is QAZZSBPFRXXQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO4S2/c1-10(6,7)3-2-4-11(5,8)9/h2-4H2,1H3,(H2,5,8,9).
What are the key properties of 3-methylsulfonylpropane-1-sulfonamide?
3-methylsulfonylpropane-1-sulfonamide has a molecular weight of 201.27 g/mol, XLogP of -1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylpropane-1-sulfonamide is sourced from PubChem (CID 58132593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).