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

C16H23BrN2O3S2 — CID 4059499

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C16H23BrN2O3S2/c17-14-6-7-15(23-14)24(21,22)19-10-8-12(9-11-19)16(20)18-13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,18,20)
InChIKeyJGINPHYFAZFIAM-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.36
Rot. Bonds4

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

1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-4-carboxamide (PubChem CID 4059499) has the molecular formula C16H23BrN2O3S2 and a molecular weight of 435.41 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-4-carboxamide
PubChem CID4059499
Molecular FormulaC16H23BrN2O3S2
Molecular Weight435.41 g/mol
Exact Mass434.03
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C16H23BrN2O3S2/c17-14-6-7-15(23-14)24(21,22)19-10-8-12(9-11-19)16(20)18-13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,18,20)
InChIKeyJGINPHYFAZFIAM-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cycloheptyl-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053793
N-cyclohexyl-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2088500
N-(butan-2-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 3690861
N-(pentan-3-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2409473
1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide
CID 4050954
1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide
CID 4118418
1-({1-[(5-Bromothien-2-yl)sulfonyl]piperidin-4-yl}carbonyl)-4-cyclohexylpiperazine
CID 4670839
1-[(5-bromothien-2-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide
CID 5243547
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 16312925
1-(4,5-Dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 45488382
5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide
CID 3239434
N~2~-[(5-bromothien-2-yl)sulfonyl]-N~1~-cyclohexyl-N~2~-methylglycinamide
CID 3245023

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-4-carboxamide (CID 4059499) is 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-4-carboxamide is O=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-4-carboxamide?
The InChIKey is JGINPHYFAZFIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3S2/c17-14-6-7-15(23-14)24(21,22)19-10-8-12(9-11-19)16(20)18-13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,18,20).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-4-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-4-carboxamide has a molecular weight of 435.41 g/mol, XLogP of 3.36, 4 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-cyclohexylpiperidine-4-carboxamide is sourced from PubChem (CID 4059499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).