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

C19H29BrN2O4S2 — CID 24654803

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
SMILESO=C(NCCCOC1CCCCC1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C19H29BrN2O4S2/c20-17-9-10-18(27-17)28(24,25)22-12-4-6-15(14-22)19(23)21-11-5-13-26-16-7-2-1-3-8-16/h9-10,15-16H,1-8,11-14H2,(H,21,23)
InChIKeyCDDBKKRPOPCDNQ-UHFFFAOYSA-N
MW493.49 g/mol
LogP3.77
Rot. Bonds8

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

1-(5-bromothiophen-2-yl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide (PubChem CID 24654803) has the molecular formula C19H29BrN2O4S2 and a molecular weight of 493.49 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
PubChem CID24654803
Molecular FormulaC19H29BrN2O4S2
Molecular Weight493.49 g/mol
Exact Mass492.08
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
SMILESO=C(NCCCOC1CCCCC1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C19H29BrN2O4S2/c20-17-9-10-18(27-17)28(24,25)22-12-4-6-15(14-22)19(23)21-11-5-13-26-16-7-2-1-3-8-16/h9-10,15-16H,1-8,11-14H2,(H,21,23)
InChIKeyCDDBKKRPOPCDNQ-UHFFFAOYSA-N
XLogP3.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 78838767
(3S)-1-(benzenesulfonyl)-N-(3-cyclopentyloxypropyl)piperidine-3-carboxamide
CID 99622037
1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
CID 42936696
(3S)-1-(4-chlorophenyl)sulfonyl-N-(3-cyclopentyloxypropyl)piperidine-3-carboxamide
CID 100675858
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 24654701
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 24642184
(3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 30376778
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-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide
CID 24629779
1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine
CID 54990170
N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24629349

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide (CID 24654803) is 1-(5-bromothiophen-2-yl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide is O=C(NCCCOC1CCCCC1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide?
The InChIKey is CDDBKKRPOPCDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN2O4S2/c20-17-9-10-18(27-17)28(24,25)22-12-4-6-15(14-22)19(23)21-11-5-13-26-16-7-2-1-3-8-16/h9-10,15-16H,1-8,11-14H2,(H,21,23).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide has a molecular weight of 493.49 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 24654803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).