3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine

C11H14ClNS — CID 62370752

IUPAC3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine
SMILESClc1ccccc1SCC1CCNC1
InChIInChI=1S/C11H14ClNS/c12-10-3-1-2-4-11(10)14-8-9-5-6-13-7-9/h1-4,9,13H,5-8H2
InChIKeyJIGROAAEFLWMOY-UHFFFAOYSA-N
MW227.76 g/mol
LogP3.04
Rot. Bonds3

About 3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine

3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine (PubChem CID 62370752) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine
PubChem CID62370752
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine
SMILESClc1ccccc1SCC1CCNC1
InChIInChI=1S/C11H14ClNS/c12-10-3-1-2-4-11(10)14-8-9-5-6-13-7-9/h1-4,9,13H,5-8H2
InChIKeyJIGROAAEFLWMOY-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine
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3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine
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3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine
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(3R)-3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine?
The IUPAC name of 3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine (CID 62370752) is 3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine?
The canonical SMILES for 3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine is Clc1ccccc1SCC1CCNC1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine?
The InChIKey is JIGROAAEFLWMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c12-10-3-1-2-4-11(10)14-8-9-5-6-13-7-9/h1-4,9,13H,5-8H2.
What are the key properties of 3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine?
3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine has a molecular weight of 227.76 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine is sourced from PubChem (CID 62370752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).