1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide

C10H11BrN2O2S — CID 56820615

IUPAC1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(Br)cs2)C1
InChIInChI=1S/C10H11BrN2O2S/c11-7-3-8(16-5-7)10(15)13-2-1-6(4-13)9(12)14/h3,5-6H,1-2,4H2,(H2,12,14)
InChIKeyKIQHPKNMVBZPGS-UHFFFAOYSA-N
MW303.18 g/mol
LogP1.46
Rot. Bonds2

About 1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide

1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 56820615) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is 1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide
PubChem CID56820615
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC Name1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(Br)cs2)C1
InChIInChI=1S/C10H11BrN2O2S/c11-7-3-8(16-5-7)10(15)13-2-1-6(4-13)9(12)14/h3,5-6H,1-2,4H2,(H2,12,14)
InChIKeyKIQHPKNMVBZPGS-UHFFFAOYSA-N
XLogP1.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone;hydrochloride
CID 119934163
(4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone
CID 83558896
azepan-1-yl-(4-bromothiophen-2-yl)methanone
CID 2225278
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(4-bromothiophen-2-yl)methanone
CID 95589911
1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide
CID 104919326
(4-bromothiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994398
(4-bromothiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538654
1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide
CID 113259113
(3S)-1-(4-bromo-3-chloro-5-methylbenzoyl)pyrrolidine-3-carboxamide
CID 124849667
(3-aminopyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107027846
1-(4-amino-3-methylbenzoyl)pyrrolidine-3-carboxamide
CID 114081648
1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide
CID 114081662

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide (CID 56820615) is 1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(C(=O)c2cc(Br)cs2)C1.
What is the InChIKey of 1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is KIQHPKNMVBZPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S/c11-7-3-8(16-5-7)10(15)13-2-1-6(4-13)9(12)14/h3,5-6H,1-2,4H2,(H2,12,14).
What are the key properties of 1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide?
1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 303.18 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophene-2-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 56820615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).