3-(phenylsulfanylmethyl)pyrrolidine

C11H15NS — CID 23184281

IUPAC3-(phenylsulfanylmethyl)pyrrolidine
SMILESc1ccc(SCC2CCNC2)cc1
InChIInChI=1S/C11H15NS/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h1-5,10,12H,6-9H2
InChIKeyAYLPIJTVKMODTL-UHFFFAOYSA-N
MW193.32 g/mol
LogP2.39
Rot. Bonds3

About 3-(phenylsulfanylmethyl)pyrrolidine

3-(phenylsulfanylmethyl)pyrrolidine (PubChem CID 23184281) has the molecular formula C11H15NS and a molecular weight of 193.32 g/mol. Its IUPAC name is 3-(phenylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(phenylsulfanylmethyl)pyrrolidine
PubChem CID23184281
Molecular FormulaC11H15NS
Molecular Weight193.32 g/mol
Exact Mass193.09
IUPAC Name3-(phenylsulfanylmethyl)pyrrolidine
SMILESc1ccc(SCC2CCNC2)cc1
InChIInChI=1S/C11H15NS/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h1-5,10,12H,6-9H2
InChIKeyAYLPIJTVKMODTL-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(phenylsulfanylmethyl)pyrrolidine?
The IUPAC name of 3-(phenylsulfanylmethyl)pyrrolidine (CID 23184281) is 3-(phenylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for 3-(phenylsulfanylmethyl)pyrrolidine?
The canonical SMILES for 3-(phenylsulfanylmethyl)pyrrolidine is c1ccc(SCC2CCNC2)cc1.
What is the InChIKey of 3-(phenylsulfanylmethyl)pyrrolidine?
The InChIKey is AYLPIJTVKMODTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h1-5,10,12H,6-9H2.
What are the key properties of 3-(phenylsulfanylmethyl)pyrrolidine?
3-(phenylsulfanylmethyl)pyrrolidine has a molecular weight of 193.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 23184281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).