1-(3-methylsulfanylbutyl)pyrrolidine

C9H19NS — CID 67812295

IUPAC1-(3-methylsulfanylbutyl)pyrrolidine
SMILESCSC(C)CCN1CCCC1
InChIInChI=1S/C9H19NS/c1-9(11-2)5-8-10-6-3-4-7-10/h9H,3-8H2,1-2H3
InChIKeyUWJPIDVKEHMPEB-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.22
Rot. Bonds4

About 1-(3-methylsulfanylbutyl)pyrrolidine

1-(3-methylsulfanylbutyl)pyrrolidine (PubChem CID 67812295) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-(3-methylsulfanylbutyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-methylsulfanylbutyl)pyrrolidine
PubChem CID67812295
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-(3-methylsulfanylbutyl)pyrrolidine
SMILESCSC(C)CCN1CCCC1
InChIInChI=1S/C9H19NS/c1-9(11-2)5-8-10-6-3-4-7-10/h9H,3-8H2,1-2H3
InChIKeyUWJPIDVKEHMPEB-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-methylsulfanylbutyl)pyrrolidine 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-(3-methylsulfanylbutyl)pyrrolidine?
The IUPAC name of 1-(3-methylsulfanylbutyl)pyrrolidine (CID 67812295) is 1-(3-methylsulfanylbutyl)pyrrolidine.
What is the SMILES notation for 1-(3-methylsulfanylbutyl)pyrrolidine?
The canonical SMILES for 1-(3-methylsulfanylbutyl)pyrrolidine is CSC(C)CCN1CCCC1.
What is the InChIKey of 1-(3-methylsulfanylbutyl)pyrrolidine?
The InChIKey is UWJPIDVKEHMPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(11-2)5-8-10-6-3-4-7-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-(3-methylsulfanylbutyl)pyrrolidine?
1-(3-methylsulfanylbutyl)pyrrolidine has a molecular weight of 173.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylbutyl)pyrrolidine is sourced from PubChem (CID 67812295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).