1-(2-methylpropyl)-3-methylsulfanylpyrrolidine

C9H19NS — CID 123160143

IUPAC1-(2-methylpropyl)-3-methylsulfanylpyrrolidine
SMILESCSC1CCN(CC(C)C)C1
InChIInChI=1S/C9H19NS/c1-8(2)6-10-5-4-9(7-10)11-3/h8-9H,4-7H2,1-3H3
InChIKeyHTTYNJQPDYSVFL-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.08
Rot. Bonds3

About 1-(2-methylpropyl)-3-methylsulfanylpyrrolidine

1-(2-methylpropyl)-3-methylsulfanylpyrrolidine (PubChem CID 123160143) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-methylsulfanylpyrrolidine
PubChem CID123160143
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-(2-methylpropyl)-3-methylsulfanylpyrrolidine
SMILESCSC1CCN(CC(C)C)C1
InChIInChI=1S/C9H19NS/c1-8(2)6-10-5-4-9(7-10)11-3/h8-9H,4-7H2,1-3H3
InChIKeyHTTYNJQPDYSVFL-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylpropyl)-3-methylsulfanylpyrrolidine 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 1-(2-methylpropyl)-3-methylsulfanylpyrrolidine?
The IUPAC name of 1-(2-methylpropyl)-3-methylsulfanylpyrrolidine (CID 123160143) is 1-(2-methylpropyl)-3-methylsulfanylpyrrolidine.
What is the SMILES notation for 1-(2-methylpropyl)-3-methylsulfanylpyrrolidine?
The canonical SMILES for 1-(2-methylpropyl)-3-methylsulfanylpyrrolidine is CSC1CCN(CC(C)C)C1.
What is the InChIKey of 1-(2-methylpropyl)-3-methylsulfanylpyrrolidine?
The InChIKey is HTTYNJQPDYSVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2)6-10-5-4-9(7-10)11-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-3-methylsulfanylpyrrolidine?
1-(2-methylpropyl)-3-methylsulfanylpyrrolidine has a molecular weight of 173.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-methylsulfanylpyrrolidine is sourced from PubChem (CID 123160143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).