2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine

C11H14ClNS — CID 117033017

IUPAC2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine
SMILESCc1cc(SC2CCCN2)ccc1Cl
InChIInChI=1S/C11H14ClNS/c1-8-7-9(4-5-10(8)12)14-11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3
InChIKeyWVCYFJCHXNXJRY-UHFFFAOYSA-N
MW227.76 g/mol
LogP3.45
Rot. Bonds2

About 2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine

2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine (PubChem CID 117033017) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine
PubChem CID117033017
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine
SMILESCc1cc(SC2CCCN2)ccc1Cl
InChIInChI=1S/C11H14ClNS/c1-8-7-9(4-5-10(8)12)14-11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3
InChIKeyWVCYFJCHXNXJRY-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)sulfanylpyrrolidine
CID 117032994
(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037
2-(3-fluorophenyl)sulfanylpyrrolidine
CID 105450799
3-(3,4-dimethylphenyl)sulfanylmorpholine
CID 117034214
1-chloro-4-hydroxysulfanyl-2-methylbenzene
CID 67557252
3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride
CID 169498285
3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine
CID 117034360
N-(4-chloro-3-methylphenyl)sulfanylmethanamine
CID 117033794
(4-chloro-3-methylphenyl)-piperidin-3-ylmethanone
CID 82341467
(2S)-2-(4-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 66518685
2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine
CID 117033009
(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one
CID 124634608

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine?
The IUPAC name of 2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine (CID 117033017) is 2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine.
What is the SMILES notation for 2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine?
The canonical SMILES for 2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine is Cc1cc(SC2CCCN2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine?
The InChIKey is WVCYFJCHXNXJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c1-8-7-9(4-5-10(8)12)14-11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3.
What are the key properties of 2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine?
2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine has a molecular weight of 227.76 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine is sourced from PubChem (CID 117033017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).