3-sulfanyl-N-(3-sulfanylpropanoyl)propanamide

C6H11NO2S2 — CID 13321891

IUPAC3-sulfanyl-N-(3-sulfanylpropanoyl)propanamide
SMILESO=C(CCS)NC(=O)CCS
InChIInChI=1S/C6H11NO2S2/c8-5(1-3-10)7-6(9)2-4-11/h10-11H,1-4H2,(H,7,8,9)
InChIKeyDIRXRVSWNMFFDK-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.27
Rot. Bonds4

About 3-sulfanyl-N-(3-sulfanylpropanoyl)propanamide

3-sulfanyl-N-(3-sulfanylpropanoyl)propanamide (PubChem CID 13321891) has the molecular formula C6H11NO2S2 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-sulfanyl-N-(3-sulfanylpropanoyl)propanamide.

Molecular Properties

Compound Name3-sulfanyl-N-(3-sulfanylpropanoyl)propanamide
PubChem CID13321891
Molecular FormulaC6H11NO2S2
Molecular Weight193.29 g/mol
Exact Mass193.02
IUPAC Name3-sulfanyl-N-(3-sulfanylpropanoyl)propanamide
SMILESO=C(CCS)NC(=O)CCS
InChIInChI=1S/C6H11NO2S2/c8-5(1-3-10)7-6(9)2-4-11/h10-11H,1-4H2,(H,7,8,9)
InChIKeyDIRXRVSWNMFFDK-UHFFFAOYSA-N
XLogP0.27
TPSA46.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.27
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 3-sulfanyl-N-(3-sulfanylpropanoyl)propanamide?
The IUPAC name of 3-sulfanyl-N-(3-sulfanylpropanoyl)propanamide (CID 13321891) is 3-sulfanyl-N-(3-sulfanylpropanoyl)propanamide.
What is the SMILES notation for 3-sulfanyl-N-(3-sulfanylpropanoyl)propanamide?
The canonical SMILES for 3-sulfanyl-N-(3-sulfanylpropanoyl)propanamide is O=C(CCS)NC(=O)CCS.
What is the InChIKey of 3-sulfanyl-N-(3-sulfanylpropanoyl)propanamide?
The InChIKey is DIRXRVSWNMFFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S2/c8-5(1-3-10)7-6(9)2-4-11/h10-11H,1-4H2,(H,7,8,9).
What are the key properties of 3-sulfanyl-N-(3-sulfanylpropanoyl)propanamide?
3-sulfanyl-N-(3-sulfanylpropanoyl)propanamide has a molecular weight of 193.29 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanyl-N-(3-sulfanylpropanoyl)propanamide is sourced from PubChem (CID 13321891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).