1,3-dimethyl-2-(methylsulfanylmethyl)pyrrolidine

C8H17NS — CID 89385795

IUPAC1,3-dimethyl-2-(methylsulfanylmethyl)pyrrolidine
SMILESCSCC1C(C)CCN1C
InChIInChI=1S/C8H17NS/c1-7-4-5-9(2)8(7)6-10-3/h7-8H,4-6H2,1-3H3
InChIKeyNEWRAUJAXWLIRO-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.69
Rot. Bonds2

About 1,3-dimethyl-2-(methylsulfanylmethyl)pyrrolidine

1,3-dimethyl-2-(methylsulfanylmethyl)pyrrolidine (PubChem CID 89385795) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1,3-dimethyl-2-(methylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name1,3-dimethyl-2-(methylsulfanylmethyl)pyrrolidine
PubChem CID89385795
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1,3-dimethyl-2-(methylsulfanylmethyl)pyrrolidine
SMILESCSCC1C(C)CCN1C
InChIInChI=1S/C8H17NS/c1-7-4-5-9(2)8(7)6-10-3/h7-8H,4-6H2,1-3H3
InChIKeyNEWRAUJAXWLIRO-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-dimethyl-2-(methylsulfanylmethyl)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-dimethyl-2-(methylsulfanylmethyl)pyrrolidine?
The IUPAC name of 1,3-dimethyl-2-(methylsulfanylmethyl)pyrrolidine (CID 89385795) is 1,3-dimethyl-2-(methylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for 1,3-dimethyl-2-(methylsulfanylmethyl)pyrrolidine?
The canonical SMILES for 1,3-dimethyl-2-(methylsulfanylmethyl)pyrrolidine is CSCC1C(C)CCN1C.
What is the InChIKey of 1,3-dimethyl-2-(methylsulfanylmethyl)pyrrolidine?
The InChIKey is NEWRAUJAXWLIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7-4-5-9(2)8(7)6-10-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 1,3-dimethyl-2-(methylsulfanylmethyl)pyrrolidine?
1,3-dimethyl-2-(methylsulfanylmethyl)pyrrolidine has a molecular weight of 159.30 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(methylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 89385795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).