1,4-dimethyl-2-(methylsulfanylmethyl)pyrrolidine;ethane

C10H23NS — CID 142151788

IUPAC1,4-dimethyl-2-(methylsulfanylmethyl)pyrrolidine;ethane
SMILESCC.CSCC1CC(C)CN1C
InChIInChI=1S/C8H17NS.C2H6/c1-7-4-8(6-10-3)9(2)5-7;1-2/h7-8H,4-6H2,1-3H3;1-2H3
InChIKeyJEKZFPBWQITOIN-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.72
Rot. Bonds2

About 1,4-dimethyl-2-(methylsulfanylmethyl)pyrrolidine;ethane

1,4-dimethyl-2-(methylsulfanylmethyl)pyrrolidine;ethane (PubChem CID 142151788) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 1,4-dimethyl-2-(methylsulfanylmethyl)pyrrolidine;ethane.

Molecular Properties

Compound Name1,4-dimethyl-2-(methylsulfanylmethyl)pyrrolidine;ethane
PubChem CID142151788
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name1,4-dimethyl-2-(methylsulfanylmethyl)pyrrolidine;ethane
SMILESCC.CSCC1CC(C)CN1C
InChIInChI=1S/C8H17NS.C2H6/c1-7-4-8(6-10-3)9(2)5-7;1-2/h7-8H,4-6H2,1-3H3;1-2H3
InChIKeyJEKZFPBWQITOIN-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4-dimethyl-2-(methylsulfanylmethyl)pyrrolidine;ethane 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 1,4-dimethyl-2-(methylsulfanylmethyl)pyrrolidine;ethane?
The IUPAC name of 1,4-dimethyl-2-(methylsulfanylmethyl)pyrrolidine;ethane (CID 142151788) is 1,4-dimethyl-2-(methylsulfanylmethyl)pyrrolidine;ethane.
What is the SMILES notation for 1,4-dimethyl-2-(methylsulfanylmethyl)pyrrolidine;ethane?
The canonical SMILES for 1,4-dimethyl-2-(methylsulfanylmethyl)pyrrolidine;ethane is CC.CSCC1CC(C)CN1C.
What is the InChIKey of 1,4-dimethyl-2-(methylsulfanylmethyl)pyrrolidine;ethane?
The InChIKey is JEKZFPBWQITOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS.C2H6/c1-7-4-8(6-10-3)9(2)5-7;1-2/h7-8H,4-6H2,1-3H3;1-2H3.
What are the key properties of 1,4-dimethyl-2-(methylsulfanylmethyl)pyrrolidine;ethane?
1,4-dimethyl-2-(methylsulfanylmethyl)pyrrolidine;ethane has a molecular weight of 189.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(methylsulfanylmethyl)pyrrolidine;ethane is sourced from PubChem (CID 142151788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).