1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide

C13H19BrN2O3S2 — CID 51143852

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C13H19BrN2O3S2/c1-2-7-15-13(17)10-5-8-16(9-6-10)21(18,19)12-4-3-11(14)20-12/h3-4,10H,2,5-9H2,1H3,(H,15,17)
InChIKeyHEYBUYFFLUPBQJ-UHFFFAOYSA-N
MW395.34 g/mol
LogP2.44
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide (PubChem CID 51143852) has the molecular formula C13H19BrN2O3S2 and a molecular weight of 395.34 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide
PubChem CID51143852
Molecular FormulaC13H19BrN2O3S2
Molecular Weight395.34 g/mol
Exact Mass394.00
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C13H19BrN2O3S2/c1-2-7-15-13(17)10-5-8-16(9-6-10)21(18,19)12-4-3-11(14)20-12/h3-4,10H,2,5-9H2,1H3,(H,15,17)
InChIKeyHEYBUYFFLUPBQJ-UHFFFAOYSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethoxyethyl)piperidine-4-carboxamide
CID 78903052
(2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 32836178
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 24642184
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 26777901
1-(5-bromothiophen-2-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55332211
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 39731241
ethyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate
CID 1006699
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-propylpyrazol-3-yl)piperidine-4-carboxamide
CID 55655780
N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 3640172
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 78838767
N-(4-acetylphenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 42999460
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 15989573

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide (CID 51143852) is 1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide?
The InChIKey is HEYBUYFFLUPBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S2/c1-2-7-15-13(17)10-5-8-16(9-6-10)21(18,19)12-4-3-11(14)20-12/h3-4,10H,2,5-9H2,1H3,(H,15,17).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide has a molecular weight of 395.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 51143852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).