4-sulfanylbutane-1-sulfonamide

C4H11NO2S2 — CID 10057932

IUPAC4-sulfanylbutane-1-sulfonamide
SMILESNS(=O)(=O)CCCCS
InChIInChI=1S/C4H11NO2S2/c5-9(6,7)4-2-1-3-8/h8H,1-4H2,(H2,5,6,7)
InChIKeyXWZCGJIPSKODTI-UHFFFAOYSA-N
MW169.27 g/mol
LogP-0.02
Rot. Bonds4

About 4-sulfanylbutane-1-sulfonamide

4-sulfanylbutane-1-sulfonamide (PubChem CID 10057932) has the molecular formula C4H11NO2S2 and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-sulfanylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-sulfanylbutane-1-sulfonamide
PubChem CID10057932
Molecular FormulaC4H11NO2S2
Molecular Weight169.27 g/mol
Exact Mass169.02
IUPAC Name4-sulfanylbutane-1-sulfonamide
SMILESNS(=O)(=O)CCCCS
InChIInChI=1S/C4H11NO2S2/c5-9(6,7)4-2-1-3-8/h8H,1-4H2,(H2,5,6,7)
InChIKeyXWZCGJIPSKODTI-UHFFFAOYSA-N
XLogP-0.02
TPSA60.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-sulfanylbutane-1-sulfonamide?
The IUPAC name of 4-sulfanylbutane-1-sulfonamide (CID 10057932) is 4-sulfanylbutane-1-sulfonamide.
What is the SMILES notation for 4-sulfanylbutane-1-sulfonamide?
The canonical SMILES for 4-sulfanylbutane-1-sulfonamide is NS(=O)(=O)CCCCS.
What is the InChIKey of 4-sulfanylbutane-1-sulfonamide?
The InChIKey is XWZCGJIPSKODTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S2/c5-9(6,7)4-2-1-3-8/h8H,1-4H2,(H2,5,6,7).
What are the key properties of 4-sulfanylbutane-1-sulfonamide?
4-sulfanylbutane-1-sulfonamide has a molecular weight of 169.27 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanylbutane-1-sulfonamide is sourced from PubChem (CID 10057932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).