2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine

C10H14BrNS — CID 84710165

IUPAC2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine
SMILESCc1sc(C)c(C2CCCN2)c1Br
InChIInChI=1S/C10H14BrNS/c1-6-9(8-4-3-5-12-8)10(11)7(2)13-6/h8,12H,3-5H2,1-2H3
InChIKeySEZNFNDGLRQHOJ-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.55
Rot. Bonds1

About 2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine

2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine (PubChem CID 84710165) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine
PubChem CID84710165
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine
SMILESCc1sc(C)c(C2CCCN2)c1Br
InChIInChI=1S/C10H14BrNS/c1-6-9(8-4-3-5-12-8)10(11)7(2)13-6/h8,12H,3-5H2,1-2H3
InChIKeySEZNFNDGLRQHOJ-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine
CID 84709372
2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol
CID 131482992
3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347
2-(2-methyl-1-benzothiophen-3-yl)piperidine
CID 116987459
3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]-1H-pyrazole
CID 96633250
3-bromo-5-methyl-2-piperidin-2-ylphenol
CID 84808995
2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116349
2,3,5-trimethyl-4-pyrrolidin-2-ylphenol
CID 117116773
(2R)-2-(4-bromo-2,6-difluorophenyl)pyrrolidine
CID 130663850
6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol
CID 131173682
5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole
CID 83693618
1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
CID 95566954

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine?
The IUPAC name of 2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine (CID 84710165) is 2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine?
The canonical SMILES for 2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine is Cc1sc(C)c(C2CCCN2)c1Br.
What is the InChIKey of 2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine?
The InChIKey is SEZNFNDGLRQHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-6-9(8-4-3-5-12-8)10(11)7(2)13-6/h8,12H,3-5H2,1-2H3.
What are the key properties of 2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine?
2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine has a molecular weight of 260.20 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylthiophen-3-yl)pyrrolidine is sourced from PubChem (CID 84710165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).