(3-aminopyrrolidin-3-yl)methanethiol

C5H12N2S — CID 19382154

IUPAC(3-aminopyrrolidin-3-yl)methanethiol
SMILESNC1(CS)CCNC1
InChIInChI=1S/C5H12N2S/c6-5(4-8)1-2-7-3-5/h7-8H,1-4,6H2
InChIKeyXATXMVXHFLYYGG-UHFFFAOYSA-N
MW132.23 g/mol
LogP-0.39
Rot. Bonds1

About (3-aminopyrrolidin-3-yl)methanethiol

(3-aminopyrrolidin-3-yl)methanethiol (PubChem CID 19382154) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is (3-aminopyrrolidin-3-yl)methanethiol.

Molecular Properties

Compound Name(3-aminopyrrolidin-3-yl)methanethiol
PubChem CID19382154
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name(3-aminopyrrolidin-3-yl)methanethiol
SMILESNC1(CS)CCNC1
InChIInChI=1S/C5H12N2S/c6-5(4-8)1-2-7-3-5/h7-8H,1-4,6H2
InChIKeyXATXMVXHFLYYGG-UHFFFAOYSA-N
XLogP-0.39
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-aminopyrrolidin-3-yl)methanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-3-yl)methanethiol?
The IUPAC name of (3-aminopyrrolidin-3-yl)methanethiol (CID 19382154) is (3-aminopyrrolidin-3-yl)methanethiol.
What is the SMILES notation for (3-aminopyrrolidin-3-yl)methanethiol?
The canonical SMILES for (3-aminopyrrolidin-3-yl)methanethiol is NC1(CS)CCNC1.
What is the InChIKey of (3-aminopyrrolidin-3-yl)methanethiol?
The InChIKey is XATXMVXHFLYYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c6-5(4-8)1-2-7-3-5/h7-8H,1-4,6H2.
What are the key properties of (3-aminopyrrolidin-3-yl)methanethiol?
(3-aminopyrrolidin-3-yl)methanethiol has a molecular weight of 132.23 g/mol, XLogP of -0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-3-yl)methanethiol is sourced from PubChem (CID 19382154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).