1-methyl-2-(2-phenylsulfanylethyl)pyrrolidine

C13H19NS — CID 10513195

IUPAC1-methyl-2-(2-phenylsulfanylethyl)pyrrolidine
SMILESCN1CCCC1CCSc1ccccc1
InChIInChI=1S/C13H19NS/c1-14-10-5-6-12(14)9-11-15-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKeyOKNIJEOWRWFTOU-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.26
Rot. Bonds4

About 1-methyl-2-(2-phenylsulfanylethyl)pyrrolidine

1-methyl-2-(2-phenylsulfanylethyl)pyrrolidine (PubChem CID 10513195) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-methyl-2-(2-phenylsulfanylethyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-(2-phenylsulfanylethyl)pyrrolidine
PubChem CID10513195
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name1-methyl-2-(2-phenylsulfanylethyl)pyrrolidine
SMILESCN1CCCC1CCSc1ccccc1
InChIInChI=1S/C13H19NS/c1-14-10-5-6-12(14)9-11-15-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKeyOKNIJEOWRWFTOU-UHFFFAOYSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-phenylsulfanylethyl)pyrrolidine?
The IUPAC name of 1-methyl-2-(2-phenylsulfanylethyl)pyrrolidine (CID 10513195) is 1-methyl-2-(2-phenylsulfanylethyl)pyrrolidine.
What is the SMILES notation for 1-methyl-2-(2-phenylsulfanylethyl)pyrrolidine?
The canonical SMILES for 1-methyl-2-(2-phenylsulfanylethyl)pyrrolidine is CN1CCCC1CCSc1ccccc1.
What is the InChIKey of 1-methyl-2-(2-phenylsulfanylethyl)pyrrolidine?
The InChIKey is OKNIJEOWRWFTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-14-10-5-6-12(14)9-11-15-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3.
What are the key properties of 1-methyl-2-(2-phenylsulfanylethyl)pyrrolidine?
1-methyl-2-(2-phenylsulfanylethyl)pyrrolidine has a molecular weight of 221.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-phenylsulfanylethyl)pyrrolidine is sourced from PubChem (CID 10513195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).