3-sulfanylpropane-1-sulfonamide

C3H9NO2S2 — CID 86156590

IUPAC3-sulfanylpropane-1-sulfonamide
SMILESNS(=O)(=O)CCCS
InChIInChI=1S/C3H9NO2S2/c4-8(5,6)3-1-2-7/h7H,1-3H2,(H2,4,5,6)
InChIKeyZVCOVEATKLXFJO-UHFFFAOYSA-N
MW155.24 g/mol
LogP-0.41
Rot. Bonds3

About 3-sulfanylpropane-1-sulfonamide

3-sulfanylpropane-1-sulfonamide (PubChem CID 86156590) has the molecular formula C3H9NO2S2 and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-sulfanylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-sulfanylpropane-1-sulfonamide
PubChem CID86156590
Molecular FormulaC3H9NO2S2
Molecular Weight155.24 g/mol
Exact Mass155.01
IUPAC Name3-sulfanylpropane-1-sulfonamide
SMILESNS(=O)(=O)CCCS
InChIInChI=1S/C3H9NO2S2/c4-8(5,6)3-1-2-7/h7H,1-3H2,(H2,4,5,6)
InChIKeyZVCOVEATKLXFJO-UHFFFAOYSA-N
XLogP-0.41
TPSA60.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-sulfanylpropane-1-sulfonamide?
The IUPAC name of 3-sulfanylpropane-1-sulfonamide (CID 86156590) is 3-sulfanylpropane-1-sulfonamide.
What is the SMILES notation for 3-sulfanylpropane-1-sulfonamide?
The canonical SMILES for 3-sulfanylpropane-1-sulfonamide is NS(=O)(=O)CCCS.
What is the InChIKey of 3-sulfanylpropane-1-sulfonamide?
The InChIKey is ZVCOVEATKLXFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S2/c4-8(5,6)3-1-2-7/h7H,1-3H2,(H2,4,5,6).
What are the key properties of 3-sulfanylpropane-1-sulfonamide?
3-sulfanylpropane-1-sulfonamide has a molecular weight of 155.24 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanylpropane-1-sulfonamide is sourced from PubChem (CID 86156590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).