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

C16H23BrN2O3S2 — CID 5243547

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C16H23BrN2O3S2/c17-14-8-9-15(23-14)24(21,22)19-10-4-5-12(11-19)16(20)18-13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2,(H,18,20)
InChIKeyQFAMJSVUZOJZTH-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.36
Rot. Bonds4

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

1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide (PubChem CID 5243547) 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-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide
PubChem CID5243547
Molecular FormulaC16H23BrN2O3S2
Molecular Weight435.41 g/mol
Exact Mass434.03
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C16H23BrN2O3S2/c17-14-8-9-15(23-14)24(21,22)19-10-4-5-12(11-19)16(20)18-13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2,(H,18,20)
InChIKeyQFAMJSVUZOJZTH-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-cyclohexyl-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3243927
N-isopropyl-1-(2-thienylsulfonyl)-3-piperidinecarboxamide
CID 3239956
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
N-cycloheptyl-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3245510
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 16312925
5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide
CID 3239434
N~3~-[(5-bromo-2-thienyl)sulfonyl]-N~1~-cyclopentyl-beta-alaninamide
CID 3241181
1-({1-[(5-Bromothien-2-yl)sulfonyl]piperidin-3-yl}carbonyl)azepane
CID 3242607
4-[(5-bromothiophene-2-sulfonamido)methyl]-N-cycloheptylcyclohexane-1-carboxamide
CID 3284790
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 3317218
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-cyclohexylacetamide
CID 16309601

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide (CID 5243547) is 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide is O=C(NC1CCCCC1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide?
The InChIKey is QFAMJSVUZOJZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3S2/c17-14-8-9-15(23-14)24(21,22)19-10-4-5-12(11-19)16(20)18-13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2,(H,18,20).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-cyclohexylpiperidine-3-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-3-carboxamide is sourced from PubChem (CID 5243547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).