3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine

C11H14BrNS — CID 84713327

IUPAC3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine
SMILESCSc1ccc(Br)cc1C1CCNC1
InChIInChI=1S/C11H14BrNS/c1-14-11-3-2-9(12)6-10(11)8-4-5-13-7-8/h2-3,6,8,13H,4-5,7H2,1H3
InChIKeyXWRJWHKLGWHRKY-UHFFFAOYSA-N
MW272.21 g/mol
LogP3.25
Rot. Bonds2

About 3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine

3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine (PubChem CID 84713327) has the molecular formula C11H14BrNS and a molecular weight of 272.21 g/mol. Its IUPAC name is 3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine
PubChem CID84713327
Molecular FormulaC11H14BrNS
Molecular Weight272.21 g/mol
Exact Mass271.00
IUPAC Name3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine
SMILESCSc1ccc(Br)cc1C1CCNC1
InChIInChI=1S/C11H14BrNS/c1-14-11-3-2-9(12)6-10(11)8-4-5-13-7-8/h2-3,6,8,13H,4-5,7H2,1H3
InChIKeyXWRJWHKLGWHRKY-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-bromo-2-methylphenyl)pyrrolidine
CID 82388123
5-bromo-2-pyrrolidin-3-ylaniline
CID 117103702
2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol
CID 131145885
4-bromo-10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene
CID 11345749
5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole
CID 95432462
(3S)-3-(5-bromo-2-chlorophenyl)piperidine
CID 130619016
4-methylsulfanyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131169760
3-[3,4-bis(methylsulfanyl)phenyl]piperidine
CID 117386847
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine
CID 117469664
3-(3-bromo-4-propan-2-ylsulfanylphenyl)pyrrolidine
CID 117483956
3-(2-methoxy-4-methylsulfanylphenyl)pyrrolidine
CID 117320772

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine?
The IUPAC name of 3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine (CID 84713327) is 3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine.
What is the SMILES notation for 3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine?
The canonical SMILES for 3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine is CSc1ccc(Br)cc1C1CCNC1.
What is the InChIKey of 3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine?
The InChIKey is XWRJWHKLGWHRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNS/c1-14-11-3-2-9(12)6-10(11)8-4-5-13-7-8/h2-3,6,8,13H,4-5,7H2,1H3.
What are the key properties of 3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine?
3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine has a molecular weight of 272.21 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine is sourced from PubChem (CID 84713327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).