(1-sulfanylpyrrolidin-2-yl)methanamine

C5H12N2S — CID 123921896

IUPAC(1-sulfanylpyrrolidin-2-yl)methanamine
SMILESNCC1CCCN1S
InChIInChI=1S/C5H12N2S/c6-4-5-2-1-3-7(5)8/h5,8H,1-4,6H2
InChIKeyDFKCUZYDDXSXOZ-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.25
Rot. Bonds1

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 CID123921896
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name(1-sulfanylpyrrolidin-2-yl)methanamine
SMILESNCC1CCCN1S
InChIInChI=1S/C5H12N2S/c6-4-5-2-1-3-7(5)8/h5,8H,1-4,6H2
InChIKeyDFKCUZYDDXSXOZ-UHFFFAOYSA-N
XLogP0.25
TPSA29.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
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 (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).