5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide

C12H17BrN2O3S2 — CID 3239434

IUPAC5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)s1)N1CCCCC1
InChIInChI=1S/C12H17BrN2O3S2/c13-10-4-5-12(19-10)20(17,18)14-7-6-11(16)15-8-2-1-3-9-15/h4-5,14H,1-3,6-9H2
InChIKeySTSJKWQIAZBLQC-UHFFFAOYSA-N
MW381.32 g/mol
LogP2.19
Rot. Bonds5

About 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide

5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide (PubChem CID 3239434) has the molecular formula C12H17BrN2O3S2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide
PubChem CID3239434
Molecular FormulaC12H17BrN2O3S2
Molecular Weight381.32 g/mol
Exact Mass379.99
IUPAC Name5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)s1)N1CCCCC1
InChIInChI=1S/C12H17BrN2O3S2/c13-10-4-5-12(19-10)20(17,18)14-7-6-11(16)15-8-2-1-3-9-15/h4-5,14H,1-3,6-9H2
InChIKeySTSJKWQIAZBLQC-UHFFFAOYSA-N
XLogP2.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-({N-[(5-bromothien-2-yl)sulfonyl]glycyl}amino)piperidine-1-carboxylate
CID 3245804
1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide
CID 4118418
5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 4342607
5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-sulfonamide
CID 6467494
1-[(5-bromothien-2-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide
CID 5243547
N-[2-(1,4'-bipiperidin-1'-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide
CID 3237741
N~3~-[(5-bromo-2-thienyl)sulfonyl]-N~1~-cyclopentyl-beta-alaninamide
CID 3241181
1-({1-[(5-Bromothien-2-yl)sulfonyl]piperidin-3-yl}carbonyl)azepane
CID 3242607
N~2~-[(5-bromothien-2-yl)sulfonyl]-N~1~-cyclohexyl-N~2~-methylglycinamide
CID 3245023
1-[(5-Bromothiophen-2-yl)sulfonyl]-4-(piperidine-1-carbonyl)piperidine
CID 4425630
5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 5056774
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-cyclohexylacetamide
CID 16309601

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide (CID 3239434) is 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide is O=C(CCNS(=O)(=O)c1ccc(Br)s1)N1CCCCC1.
What is the InChIKey of 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide?
The InChIKey is STSJKWQIAZBLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S2/c13-10-4-5-12(19-10)20(17,18)14-7-6-11(16)15-8-2-1-3-9-15/h4-5,14H,1-3,6-9H2.
What are the key properties of 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide?
5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide has a molecular weight of 381.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 3239434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).