4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide

C7H13NO2S2 — CID 23568508

IUPAC4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide
SMILESO=C(CCS)NC(=O)CCCS
InChIInChI=1S/C7H13NO2S2/c9-6(2-1-4-11)8-7(10)3-5-12/h11-12H,1-5H2,(H,8,9,10)
InChIKeyARNWKHHASAITGT-UHFFFAOYSA-N
MW207.32 g/mol
LogP0.66
Rot. Bonds5

About 4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide

4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide (PubChem CID 23568508) has the molecular formula C7H13NO2S2 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide.

Molecular Properties

Compound Name4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide
PubChem CID23568508
Molecular FormulaC7H13NO2S2
Molecular Weight207.32 g/mol
Exact Mass207.04
IUPAC Name4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide
SMILESO=C(CCS)NC(=O)CCCS
InChIInChI=1S/C7H13NO2S2/c9-6(2-1-4-11)8-7(10)3-5-12/h11-12H,1-5H2,(H,8,9,10)
InChIKeyARNWKHHASAITGT-UHFFFAOYSA-N
XLogP0.66
TPSA46.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide?
The IUPAC name of 4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide (CID 23568508) is 4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide.
What is the SMILES notation for 4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide?
The canonical SMILES for 4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide is O=C(CCS)NC(=O)CCCS.
What is the InChIKey of 4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide?
The InChIKey is ARNWKHHASAITGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S2/c9-6(2-1-4-11)8-7(10)3-5-12/h11-12H,1-5H2,(H,8,9,10).
What are the key properties of 4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide?
4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide has a molecular weight of 207.32 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanyl-N-(3-sulfanylpropanoyl)butanamide is sourced from PubChem (CID 23568508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).