[2-(3-methoxypyrrolidin-1-yl)-6-methylsulfanylphenyl]methanamine

C13H20N2OS — CID 103530704

IUPAC[2-(3-methoxypyrrolidin-1-yl)-6-methylsulfanylphenyl]methanamine
SMILESCOC1CCN(c2cccc(SC)c2CN)C1
InChIInChI=1S/C13H20N2OS/c1-16-10-6-7-15(9-10)12-4-3-5-13(17-2)11(12)8-14/h3-5,10H,6-9,14H2,1-2H3
InChIKeySEPYYTKOZYXBOA-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.09
Rot. Bonds4

About [2-(3-methoxypyrrolidin-1-yl)-6-methylsulfanylphenyl]methanamine

[2-(3-methoxypyrrolidin-1-yl)-6-methylsulfanylphenyl]methanamine (PubChem CID 103530704) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is [2-(3-methoxypyrrolidin-1-yl)-6-methylsulfanylphenyl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxypyrrolidin-1-yl)-6-methylsulfanylphenyl]methanamine
PubChem CID103530704
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name[2-(3-methoxypyrrolidin-1-yl)-6-methylsulfanylphenyl]methanamine
SMILESCOC1CCN(c2cccc(SC)c2CN)C1
InChIInChI=1S/C13H20N2OS/c1-16-10-6-7-15(9-10)12-4-3-5-13(17-2)11(12)8-14/h3-5,10H,6-9,14H2,1-2H3
InChIKeySEPYYTKOZYXBOA-UHFFFAOYSA-N
XLogP2.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-methoxypyrrolidin-1-yl)-6-methylsulfanylphenyl]methanamine 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 [2-(3-methoxypyrrolidin-1-yl)-6-methylsulfanylphenyl]methanamine?
The IUPAC name of [2-(3-methoxypyrrolidin-1-yl)-6-methylsulfanylphenyl]methanamine (CID 103530704) is [2-(3-methoxypyrrolidin-1-yl)-6-methylsulfanylphenyl]methanamine.
What is the SMILES notation for [2-(3-methoxypyrrolidin-1-yl)-6-methylsulfanylphenyl]methanamine?
The canonical SMILES for [2-(3-methoxypyrrolidin-1-yl)-6-methylsulfanylphenyl]methanamine is COC1CCN(c2cccc(SC)c2CN)C1.
What is the InChIKey of [2-(3-methoxypyrrolidin-1-yl)-6-methylsulfanylphenyl]methanamine?
The InChIKey is SEPYYTKOZYXBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-16-10-6-7-15(9-10)12-4-3-5-13(17-2)11(12)8-14/h3-5,10H,6-9,14H2,1-2H3.
What are the key properties of [2-(3-methoxypyrrolidin-1-yl)-6-methylsulfanylphenyl]methanamine?
[2-(3-methoxypyrrolidin-1-yl)-6-methylsulfanylphenyl]methanamine has a molecular weight of 252.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxypyrrolidin-1-yl)-6-methylsulfanylphenyl]methanamine is sourced from PubChem (CID 103530704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).