5-bromo-N-(2-oxopiperidin-3-yl)thiophene-2-carboxamide

C10H11BrN2O2S — CID 49149527

IUPAC5-bromo-N-(2-oxopiperidin-3-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCCNC1=O)c1ccc(Br)s1
InChIInChI=1S/C10H11BrN2O2S/c11-8-4-3-7(16-8)10(15)13-6-2-1-5-12-9(6)14/h3-4,6H,1-2,5H2,(H,12,14)(H,13,15)
InChIKeyBTMDBWOKALOWDZ-UHFFFAOYSA-N
MW303.18 g/mol
LogP1.52
Rot. Bonds2

About 5-bromo-N-(2-oxopiperidin-3-yl)thiophene-2-carboxamide

5-bromo-N-(2-oxopiperidin-3-yl)thiophene-2-carboxamide (PubChem CID 49149527) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is 5-bromo-N-(2-oxopiperidin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-oxopiperidin-3-yl)thiophene-2-carboxamide
PubChem CID49149527
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC Name5-bromo-N-(2-oxopiperidin-3-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCCNC1=O)c1ccc(Br)s1
InChIInChI=1S/C10H11BrN2O2S/c11-8-4-3-7(16-8)10(15)13-6-2-1-5-12-9(6)14/h3-4,6H,1-2,5H2,(H,12,14)(H,13,15)
InChIKeyBTMDBWOKALOWDZ-UHFFFAOYSA-N
XLogP1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(3R)-2-oxopiperidin-3-yl]thiophene-2-carboxamide
CID 95048356
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
1-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-3-(2-oxopiperidin-3-yl)urea
CID 154745564
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
5-bromo-N-(2-hydroxycyclohexyl)thiophene-2-carboxamide
CID 62360157
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide
CID 114344266
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
2-[(5-bromothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64814788
5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119513668
N-(2-oxopiperidin-3-yl)prop-2-enamide
CID 62092726

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-oxopiperidin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-oxopiperidin-3-yl)thiophene-2-carboxamide (CID 49149527) is 5-bromo-N-(2-oxopiperidin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-oxopiperidin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-oxopiperidin-3-yl)thiophene-2-carboxamide is O=C(NC1CCCNC1=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-oxopiperidin-3-yl)thiophene-2-carboxamide?
The InChIKey is BTMDBWOKALOWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S/c11-8-4-3-7(16-8)10(15)13-6-2-1-5-12-9(6)14/h3-4,6H,1-2,5H2,(H,12,14)(H,13,15).
What are the key properties of 5-bromo-N-(2-oxopiperidin-3-yl)thiophene-2-carboxamide?
5-bromo-N-(2-oxopiperidin-3-yl)thiophene-2-carboxamide has a molecular weight of 303.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-oxopiperidin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 49149527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).