(1-sulfanylpyrrolidin-2-yl)methanamine

C₅H₁₂N₂S — CID 123921896

About (1-sulfanylpyrrolidin-2-yl)methanamine

(1-sulfanylpyrrolidin-2-yl)methanamine (PubChem CID 123921896) has the molecular formula C₅H₁₂N₂S and a molecular weight of 132.23 g/mol. Its IUPAC name is (1-sulfanylpyrrolidin-2-yl)methanamine.

Molecular Properties

• Compound Name: (1-sulfanylpyrrolidin-2-yl)methanamine
• PubChem CID: 123921896
• Molecular Formula: C₅H₁₂N₂S
• Molecular Weight: 132.23 g/mol
• Exact Mass: 132.07
• IUPAC Name: (1-sulfanylpyrrolidin-2-yl)methanamine
• SMILES: NCC1CCCN1S
• InChI: InChI=1S/C5H12N2S/c6-4-5-2-1-3-7(5)8/h5,8H,1-4,6H2
• InChIKey: DFKCUZYDDXSXOZ-UHFFFAOYSA-N
• XLogP: 0.25
• TPSA: 29.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	132.23
LogP ≤ 5	0.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1-sulfanylpyrrolidin-2-yl)methanamine?

The IUPAC name of (1-sulfanylpyrrolidin-2-yl)methanamine (CID 123921896) is (1-sulfanylpyrrolidin-2-yl)methanamine.

What is the SMILES notation for (1-sulfanylpyrrolidin-2-yl)methanamine?

The canonical SMILES for (1-sulfanylpyrrolidin-2-yl)methanamine is NCC1CCCN1S.

What is the InChIKey of (1-sulfanylpyrrolidin-2-yl)methanamine?

The InChIKey is DFKCUZYDDXSXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c6-4-5-2-1-3-7(5)8/h5,8H,1-4,6H2.

What are the key properties of (1-sulfanylpyrrolidin-2-yl)methanamine?

(1-sulfanylpyrrolidin-2-yl)methanamine has a molecular weight of 132.23 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1-sulfanylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 123921896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123921896 — identifiers, structure, computed properties (public domain)

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