1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine

C11H14ClNS — CID 59540946

IUPAC1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine
SMILESCSc1ccc(Cl)cc1N1CCCC1
InChIInChI=1S/C11H14ClNS/c1-14-11-5-4-9(12)8-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyFHNKKQLAHVLCSH-UHFFFAOYSA-N
MW227.76 g/mol
LogP3.66
Rot. Bonds2

About 1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine

1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine (PubChem CID 59540946) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine
PubChem CID59540946
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine
SMILESCSc1ccc(Cl)cc1N1CCCC1
InChIInChI=1S/C11H14ClNS/c1-14-11-5-4-9(12)8-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyFHNKKQLAHVLCSH-UHFFFAOYSA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine?
The IUPAC name of 1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine (CID 59540946) is 1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine.
What is the SMILES notation for 1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine?
The canonical SMILES for 1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine is CSc1ccc(Cl)cc1N1CCCC1.
What is the InChIKey of 1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine?
The InChIKey is FHNKKQLAHVLCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c1-14-11-5-4-9(12)8-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine?
1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine has a molecular weight of 227.76 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine is sourced from PubChem (CID 59540946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).