N-[(3-methylsulfanylpyrrolidin-3-yl)methyl]ethanamine

C8H18N2S — CID 19382161

IUPACN-[(3-methylsulfanylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCNCC1(SC)CCNC1
InChIInChI=1S/C8H18N2S/c1-3-9-6-8(11-2)4-5-10-7-8/h9-10H,3-7H2,1-2H3
InChIKeyLROOPYNATYGSPY-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.69
Rot. Bonds4

About N-[(3-methylsulfanylpyrrolidin-3-yl)methyl]ethanamine

N-[(3-methylsulfanylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 19382161) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is N-[(3-methylsulfanylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylsulfanylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID19382161
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC NameN-[(3-methylsulfanylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCNCC1(SC)CCNC1
InChIInChI=1S/C8H18N2S/c1-3-9-6-8(11-2)4-5-10-7-8/h9-10H,3-7H2,1-2H3
InChIKeyLROOPYNATYGSPY-UHFFFAOYSA-N
XLogP0.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-methylsulfanylpyrrolidin-3-yl)methyl]ethanamine 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 N-[(3-methylsulfanylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methylsulfanylpyrrolidin-3-yl)methyl]ethanamine (CID 19382161) is N-[(3-methylsulfanylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methylsulfanylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methylsulfanylpyrrolidin-3-yl)methyl]ethanamine is CCNCC1(SC)CCNC1.
What is the InChIKey of N-[(3-methylsulfanylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is LROOPYNATYGSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-3-9-6-8(11-2)4-5-10-7-8/h9-10H,3-7H2,1-2H3.
What are the key properties of N-[(3-methylsulfanylpyrrolidin-3-yl)methyl]ethanamine?
N-[(3-methylsulfanylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 174.31 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylsulfanylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 19382161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).