3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine

C9H12BrNS — CID 84803146

IUPAC3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine
SMILESCc1cc(Br)c(C2CCNC2)s1
InChIInChI=1S/C9H12BrNS/c1-6-4-8(10)9(12-6)7-2-3-11-5-7/h4,7,11H,2-3,5H2,1H3
InChIKeyQANNBQAPANOMCG-UHFFFAOYSA-N
MW246.17 g/mol
LogP2.90
Rot. Bonds1

About 3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine

3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine (PubChem CID 84803146) has the molecular formula C9H12BrNS and a molecular weight of 246.17 g/mol. Its IUPAC name is 3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine
PubChem CID84803146
Molecular FormulaC9H12BrNS
Molecular Weight246.17 g/mol
Exact Mass244.99
IUPAC Name3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine
SMILESCc1cc(Br)c(C2CCNC2)s1
InChIInChI=1S/C9H12BrNS/c1-6-4-8(10)9(12-6)7-2-3-11-5-7/h4,7,11H,2-3,5H2,1H3
InChIKeyQANNBQAPANOMCG-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885080
5-cyclopropyl-2-pyrrolidin-3-ylthiophen-3-ol
CID 112546090
4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 82413076
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine
CID 117477272
3-(5-bromo-2-methylphenyl)pyrrolidine
CID 82388123
3-(2-bromo-6-methylphenyl)pyrrolidine
CID 117103930
3-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)pyrrolidine
CID 117456993
3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine
CID 84702437
2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885085
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
3-(3-bromo-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrolidine
CID 84813778
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine?
The IUPAC name of 3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine (CID 84803146) is 3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine.
What is the SMILES notation for 3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine?
The canonical SMILES for 3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine is Cc1cc(Br)c(C2CCNC2)s1.
What is the InChIKey of 3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine?
The InChIKey is QANNBQAPANOMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNS/c1-6-4-8(10)9(12-6)7-2-3-11-5-7/h4,7,11H,2-3,5H2,1H3.
What are the key properties of 3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine?
3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine has a molecular weight of 246.17 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine is sourced from PubChem (CID 84803146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).