4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine

C10H14BrNS — CID 117269751

IUPAC4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine
SMILESCC1(C)CC(c2ccc(Br)s2)CN1
InChIInChI=1S/C10H14BrNS/c1-10(2)5-7(6-12-10)8-3-4-9(11)13-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyQQLORWIVEJONMF-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.37
Rot. Bonds1

About 4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine

4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine (PubChem CID 117269751) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine
PubChem CID117269751
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine
SMILESCC1(C)CC(c2ccc(Br)s2)CN1
InChIInChI=1S/C10H14BrNS/c1-10(2)5-7(6-12-10)8-3-4-9(11)13-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyQQLORWIVEJONMF-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 117258210
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2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane
CID 117226749
9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968939
3-(5-bromothiophen-2-yl)cyclohexan-1-amine
CID 83551915
3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 130488378
3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 81418130
4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine
CID 79321477
4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid
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2-(5-bromothiophen-2-yl)morpholine
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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine?
The IUPAC name of 4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine (CID 117269751) is 4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine is CC1(C)CC(c2ccc(Br)s2)CN1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine?
The InChIKey is QQLORWIVEJONMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-10(2)5-7(6-12-10)8-3-4-9(11)13-8/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine?
4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine has a molecular weight of 260.20 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 117269751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).