N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine

C11H24N2S — CID 28658265

IUPACN-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCSCCCNCCCN1CCCC1
InChIInChI=1S/C11H24N2S/c1-14-11-5-7-12-6-4-10-13-8-2-3-9-13/h12H,2-11H2,1H3
InChIKeyAWBVCADCOVLNMA-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.82
Rot. Bonds8

About N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine

N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 28658265) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID28658265
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC NameN-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCSCCCNCCCN1CCCC1
InChIInChI=1S/C11H24N2S/c1-14-11-5-7-12-6-4-10-13-8-2-3-9-13/h12H,2-11H2,1H3
InChIKeyAWBVCADCOVLNMA-UHFFFAOYSA-N
XLogP1.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-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 N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 28658265) is N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine is CSCCCNCCCN1CCCC1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is AWBVCADCOVLNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-14-11-5-7-12-6-4-10-13-8-2-3-9-13/h12H,2-11H2,1H3.
What are the key properties of N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine?
N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 216.39 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 28658265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).