(5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone

C11H14BrNOS — CID 127431518

IUPAC(5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(Br)s2)C1C
InChIInChI=1S/C11H14BrNOS/c1-7-5-6-13(8(7)2)11(14)9-3-4-10(12)15-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyOQXAQVXUYLORFJ-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.38
Rot. Bonds1

About (5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone

(5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone (PubChem CID 127431518) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone
PubChem CID127431518
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name(5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(Br)s2)C1C
InChIInChI=1S/C11H14BrNOS/c1-7-5-6-13(8(7)2)11(14)9-3-4-10(12)15-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyOQXAQVXUYLORFJ-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-dimethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 62122760
(5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877365
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(5-bromothiophen-2-yl)methanone
CID 60630423
(5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705475
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 106839488
(5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421504
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 55169920
(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563118
2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546011
4-(5-bromothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66061181
[4-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone;hydrochloride
CID 119520055
(5-bromothiophen-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66372043

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone (CID 127431518) is (5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(Br)s2)C1C.
What is the InChIKey of (5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is OQXAQVXUYLORFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-7-5-6-13(8(7)2)11(14)9-3-4-10(12)15-9/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of (5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone?
(5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 288.21 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 127431518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).