5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide

C11H15BrN2O3S2 — CID 47909931

IUPAC5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C11H15BrN2O3S2/c1-19(16,17)14-6-2-3-8(7-14)13-11(15)9-4-5-10(12)18-9/h4-5,8H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyLMWIPIQIAOBFFY-UHFFFAOYSA-N
MW367.29 g/mol
LogP1.66
Rot. Bonds3

About 5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide

5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide (PubChem CID 47909931) has the molecular formula C11H15BrN2O3S2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide
PubChem CID47909931
Molecular FormulaC11H15BrN2O3S2
Molecular Weight367.29 g/mol
Exact Mass365.97
IUPAC Name5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C11H15BrN2O3S2/c1-19(16,17)14-6-2-3-8(7-14)13-11(15)9-4-5-10(12)18-9/h4-5,8H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyLMWIPIQIAOBFFY-UHFFFAOYSA-N
XLogP1.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 119182612
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
5-bromo-2-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47909698
2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910133
N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide
CID 47403736
4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871266
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide
CID 22350665
1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide
CID 146086459
N-[3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 47909570
2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871264

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide (CID 47909931) is 5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide is CS(=O)(=O)N1CCCC(NC(=O)c2ccc(Br)s2)C1.
What is the InChIKey of 5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide?
The InChIKey is LMWIPIQIAOBFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S2/c1-19(16,17)14-6-2-3-8(7-14)13-11(15)9-4-5-10(12)18-9/h4-5,8H,2-3,6-7H2,1H3,(H,13,15).
What are the key properties of 5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide?
5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide has a molecular weight of 367.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 47909931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).