1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide

C15H22BrN3O4S2 — CID 24642184

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
SMILESCCCNC(=O)CNC(=O)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C15H22BrN3O4S2/c1-2-7-17-13(20)9-18-15(21)11-4-3-8-19(10-11)25(22,23)14-6-5-12(16)24-14/h5-6,11H,2-4,7-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyPAVAHDDGMVENDU-UHFFFAOYSA-N
MW452.40 g/mol
LogP1.55
Rot. Bonds7

About 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide (PubChem CID 24642184) has the molecular formula C15H22BrN3O4S2 and a molecular weight of 452.40 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
PubChem CID24642184
Molecular FormulaC15H22BrN3O4S2
Molecular Weight452.40 g/mol
Exact Mass451.02
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
SMILESCCCNC(=O)CNC(=O)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C15H22BrN3O4S2/c1-2-7-17-13(20)9-18-15(21)11-4-3-8-19(10-11)25(22,23)14-6-5-12(16)24-14/h5-6,11H,2-4,7-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyPAVAHDDGMVENDU-UHFFFAOYSA-N
XLogP1.55
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 78838767
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 51143852
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-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 24654701
1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide
CID 24629779
N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24629349
1-(5-bromothiophen-2-yl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
CID 24654803
(2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 32836178
(3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 30376778
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide (CID 24642184) is 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide is CCCNC(=O)CNC(=O)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is PAVAHDDGMVENDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O4S2/c1-2-7-17-13(20)9-18-15(21)11-4-3-8-19(10-11)25(22,23)14-6-5-12(16)24-14/h5-6,11H,2-4,7-10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 452.40 g/mol, XLogP of 1.55, 7 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-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 24642184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).