2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine

C13H16BrNS — CID 117480672

IUPAC2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine
SMILESBrc1cc(C2CCCN2)ccc1SC1CC1
InChIInChI=1S/C13H16BrNS/c14-11-8-9(12-2-1-7-15-12)3-6-13(11)16-10-4-5-10/h3,6,8,10,12,15H,1-2,4-5,7H2
InChIKeyFABXYJNBBZZHIU-UHFFFAOYSA-N
MW298.25 g/mol
LogP4.13
Rot. Bonds3

About 2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine

2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine (PubChem CID 117480672) has the molecular formula C13H16BrNS and a molecular weight of 298.25 g/mol. Its IUPAC name is 2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine
PubChem CID117480672
Molecular FormulaC13H16BrNS
Molecular Weight298.25 g/mol
Exact Mass297.02
IUPAC Name2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine
SMILESBrc1cc(C2CCCN2)ccc1SC1CC1
InChIInChI=1S/C13H16BrNS/c14-11-8-9(12-2-1-7-15-12)3-6-13(11)16-10-4-5-10/h3,6,8,10,12,15H,1-2,4-5,7H2
InChIKeyFABXYJNBBZZHIU-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-4-cyclopropylsulfanylphenyl)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

2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195910
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
2-(4-bromo-3-iodophenyl)pyrrolidine
CID 130043760
2-(3-bromo-4-cyclohexylphenyl)pyrrolidine
CID 117493208
2-bromo-5-[(2R)-piperidin-2-yl]phenol
CID 130699877
2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine
CID 117477253
2-(3-bromo-4-pentan-3-ylphenyl)piperidine
CID 117495247
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene
CID 84706062

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine?
The IUPAC name of 2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine (CID 117480672) is 2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine?
The canonical SMILES for 2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine is Brc1cc(C2CCCN2)ccc1SC1CC1.
What is the InChIKey of 2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine?
The InChIKey is FABXYJNBBZZHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNS/c14-11-8-9(12-2-1-7-15-12)3-6-13(11)16-10-4-5-10/h3,6,8,10,12,15H,1-2,4-5,7H2.
What are the key properties of 2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine?
2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine has a molecular weight of 298.25 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine is sourced from PubChem (CID 117480672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).