(3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide

C14H17BrN4O3S2 — CID 32622470

IUPAC(3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
SMILESCn1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)n1
InChIInChI=1S/C14H17BrN4O3S2/c1-18-8-6-12(17-18)16-14(20)10-3-2-7-19(9-10)24(21,22)13-5-4-11(15)23-13/h4-6,8,10H,2-3,7,9H2,1H3,(H,16,17,20)/t10-/m1/s1
InChIKeyYEZIQMJUTVQIGC-SNVBAGLBSA-N
MW433.35 g/mol
LogP2.28
Rot. Bonds4

About (3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide

(3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide (PubChem CID 32622470) has the molecular formula C14H17BrN4O3S2 and a molecular weight of 433.35 g/mol. Its IUPAC name is (3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
PubChem CID32622470
Molecular FormulaC14H17BrN4O3S2
Molecular Weight433.35 g/mol
Exact Mass431.99
IUPAC Name(3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
SMILESCn1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)n1
InChIInChI=1S/C14H17BrN4O3S2/c1-18-8-6-12(17-18)16-14(20)10-3-2-7-19(9-10)24(21,22)13-5-4-11(15)23-13/h4-6,8,10H,2-3,7,9H2,1H3,(H,16,17,20)/t10-/m1/s1
InChIKeyYEZIQMJUTVQIGC-SNVBAGLBSA-N
XLogP2.28
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 60519424
N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24629349
1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 51238050
1-(4-methoxyphenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 18092782
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
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 78838767
1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 55580519
ethyl (3S)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 1319201
ethyl (3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 1319204
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 24642184
1-(5-bromothiophen-2-yl)sulfonyl-N-(1-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 24645564

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide (CID 32622470) is (3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide is Cn1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)n1.
What is the InChIKey of (3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide?
The InChIKey is YEZIQMJUTVQIGC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17BrN4O3S2/c1-18-8-6-12(17-18)16-14(20)10-3-2-7-19(9-10)24(21,22)13-5-4-11(15)23-13/h4-6,8,10H,2-3,7,9H2,1H3,(H,16,17,20)/t10-/m1/s1.
What are the key properties of (3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide?
(3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide has a molecular weight of 433.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 32622470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).