3-(methylsulfanylmethyl)pyrrolidin-3-amine

C6H14N2S — CID 19382168

IUPAC3-(methylsulfanylmethyl)pyrrolidin-3-amine
SMILESCSCC1(N)CCNC1
InChIInChI=1S/C6H14N2S/c1-9-5-6(7)2-3-8-4-6/h8H,2-5,7H2,1H3
InChIKeyZDRJIKXMJRPFAB-UHFFFAOYSA-N
MW146.26 g/mol
LogP0.04
Rot. Bonds2

About 3-(methylsulfanylmethyl)pyrrolidin-3-amine

3-(methylsulfanylmethyl)pyrrolidin-3-amine (PubChem CID 19382168) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)pyrrolidin-3-amine
PubChem CID19382168
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name3-(methylsulfanylmethyl)pyrrolidin-3-amine
SMILESCSCC1(N)CCNC1
InChIInChI=1S/C6H14N2S/c1-9-5-6(7)2-3-8-4-6/h8H,2-5,7H2,1H3
InChIKeyZDRJIKXMJRPFAB-UHFFFAOYSA-N
XLogP0.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(methylsulfanylmethyl)pyrrolidin-3-amine 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-(methylsulfanylmethyl)pyrrolidin-3-amine?
The IUPAC name of 3-(methylsulfanylmethyl)pyrrolidin-3-amine (CID 19382168) is 3-(methylsulfanylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 3-(methylsulfanylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 3-(methylsulfanylmethyl)pyrrolidin-3-amine is CSCC1(N)CCNC1.
What is the InChIKey of 3-(methylsulfanylmethyl)pyrrolidin-3-amine?
The InChIKey is ZDRJIKXMJRPFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-9-5-6(7)2-3-8-4-6/h8H,2-5,7H2,1H3.
What are the key properties of 3-(methylsulfanylmethyl)pyrrolidin-3-amine?
3-(methylsulfanylmethyl)pyrrolidin-3-amine has a molecular weight of 146.26 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 19382168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).