1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide

C14H17BrN4O3S2 — CID 60519424

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)n[nH]1
InChIInChI=1S/C14H17BrN4O3S2/c1-9-7-12(18-17-9)16-14(20)10-3-2-6-19(8-10)24(21,22)13-5-4-11(15)23-13/h4-5,7,10H,2-3,6,8H2,1H3,(H2,16,17,18,20)
InChIKeyIYHBNMLHXWIVEO-UHFFFAOYSA-N
MW433.35 g/mol
LogP2.58
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide (PubChem CID 60519424) has the molecular formula C14H17BrN4O3S2 and a molecular weight of 433.35 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
PubChem CID60519424
Molecular FormulaC14H17BrN4O3S2
Molecular Weight433.35 g/mol
Exact Mass431.99
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)n[nH]1
InChIInChI=1S/C14H17BrN4O3S2/c1-9-7-12(18-17-9)16-14(20)10-3-2-6-19(8-10)24(21,22)13-5-4-11(15)23-13/h4-5,7,10H,2-3,6,8H2,1H3,(H2,16,17,18,20)
InChIKeyIYHBNMLHXWIVEO-UHFFFAOYSA-N
XLogP2.58
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 32622470
N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24629349
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 24630317
1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide
CID 42939650
N-(4-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46523339
ethyl (3S)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 1319201
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 78838767
ethyl (3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 1319204
1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 24645564
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55976325
N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 65022914
1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide
CID 24629779

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide (CID 60519424) is 1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide is Cc1cc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)n[nH]1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide?
The InChIKey is IYHBNMLHXWIVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O3S2/c1-9-7-12(18-17-9)16-14(20)10-3-2-6-19(8-10)24(21,22)13-5-4-11(15)23-13/h4-5,7,10H,2-3,6,8H2,1H3,(H2,16,17,18,20).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide has a molecular weight of 433.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 60519424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).