4-sulfanylpyrrolidine-2-carboxamide

C5H10N2OS — CID 13324654

IUPAC4-sulfanylpyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(S)CN1
InChIInChI=1S/C5H10N2OS/c6-5(8)4-1-3(9)2-7-4/h3-4,7,9H,1-2H2,(H2,6,8)
InChIKeyPSLICEIIGCZLPB-UHFFFAOYSA-N
MW146.21 g/mol
LogP-0.87
Rot. Bonds1

About 4-sulfanylpyrrolidine-2-carboxamide

4-sulfanylpyrrolidine-2-carboxamide (PubChem CID 13324654) has the molecular formula C5H10N2OS and a molecular weight of 146.21 g/mol. Its IUPAC name is 4-sulfanylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-sulfanylpyrrolidine-2-carboxamide
PubChem CID13324654
Molecular FormulaC5H10N2OS
Molecular Weight146.21 g/mol
Exact Mass146.05
IUPAC Name4-sulfanylpyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(S)CN1
InChIInChI=1S/C5H10N2OS/c6-5(8)4-1-3(9)2-7-4/h3-4,7,9H,1-2H2,(H2,6,8)
InChIKeyPSLICEIIGCZLPB-UHFFFAOYSA-N
XLogP-0.87
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
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 4-sulfanylpyrrolidine-2-carboxamide?
The IUPAC name of 4-sulfanylpyrrolidine-2-carboxamide (CID 13324654) is 4-sulfanylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-sulfanylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-sulfanylpyrrolidine-2-carboxamide is NC(=O)C1CC(S)CN1.
What is the InChIKey of 4-sulfanylpyrrolidine-2-carboxamide?
The InChIKey is PSLICEIIGCZLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS/c6-5(8)4-1-3(9)2-7-4/h3-4,7,9H,1-2H2,(H2,6,8).
What are the key properties of 4-sulfanylpyrrolidine-2-carboxamide?
4-sulfanylpyrrolidine-2-carboxamide has a molecular weight of 146.21 g/mol, XLogP of -0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanylpyrrolidine-2-carboxamide is sourced from PubChem (CID 13324654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).