1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide

C26H33N3O3S2 — CID 71146746

IUPAC1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
SMILESO=C(NC1CCC2CC3CC2CC1C3)C1CCN(S(=O)(=O)c2ccc(-c3ccccn3)s2)CC1
InChIInChI=1S/C26H33N3O3S2/c30-26(28-22-5-4-19-13-17-14-20(19)16-21(22)15-17)18-8-11-29(12-9-18)34(31,32)25-7-6-24(33-25)23-3-1-2-10-27-23/h1-3,6-7,10,17-22H,4-5,8-9,11-16H2,(H,28,30)
InChIKeyDNUBEDHHHJHHAB-UHFFFAOYSA-N
MW499.70 g/mol
LogP4.54
Rot. Bonds5

About 1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide

1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide (PubChem CID 71146746) has the molecular formula C26H33N3O3S2 and a molecular weight of 499.70 g/mol. Its IUPAC name is 1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
PubChem CID71146746
Molecular FormulaC26H33N3O3S2
Molecular Weight499.70 g/mol
Exact Mass499.20
IUPAC Name1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
SMILESO=C(NC1CCC2CC3CC2CC1C3)C1CCN(S(=O)(=O)c2ccc(-c3ccccn3)s2)CC1
InChIInChI=1S/C26H33N3O3S2/c30-26(28-22-5-4-19-13-17-14-20(19)16-21(22)15-17)18-8-11-29(12-9-18)34(31,32)25-7-6-24(33-25)23-3-1-2-10-27-23/h1-3,6-7,10,17-22H,4-5,8-9,11-16H2,(H,28,30)
InChIKeyDNUBEDHHHJHHAB-UHFFFAOYSA-N
XLogP4.54
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.70
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
CID 71146754
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CID 71146764
N-[(3S)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-3-yl]prop-2-enamide
CID 89236149
4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol
CID 56754287
1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide
CID 100644384
1-(benzenesulfonyl)-N-(2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
CID 131956185
(3R)-2-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 10621006
N-[5-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238337
N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide
CID 24955047
1-N-benzyl-1-N-propan-2-yl-4-N-[(1R,3R,9S)-6-tricyclo[5.3.1.03,9]undecanyl]piperidine-1,4-dicarboxamide
CID 173494635
1-(4-chlorophenyl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55807336
1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide (CID 71146746) is 1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide is O=C(NC1CCC2CC3CC2CC1C3)C1CCN(S(=O)(=O)c2ccc(-c3ccccn3)s2)CC1.
What is the InChIKey of 1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide?
The InChIKey is DNUBEDHHHJHHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3S2/c30-26(28-22-5-4-19-13-17-14-20(19)16-21(22)15-17)18-8-11-29(12-9-18)34(31,32)25-7-6-24(33-25)23-3-1-2-10-27-23/h1-3,6-7,10,17-22H,4-5,8-9,11-16H2,(H,28,30).
What are the key properties of 1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide?
1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide has a molecular weight of 499.70 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide is sourced from PubChem (CID 71146746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).