1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide

C23H32N2O4S — CID 71146847

IUPAC1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide
SMILESO=C(NC1CC[C@H]2C[C@H]3CC(O)(CC13)C2)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H32N2O4S/c26-22(24-21-7-6-16-12-18-14-23(27,13-16)15-20(18)21)17-8-10-25(11-9-17)30(28,29)19-4-2-1-3-5-19/h1-5,16-18,20-21,27H,6-15H2,(H,24,26)/t16-,18-,20?,21?,23?/m0/s1
InChIKeyUCYMELXEIFBGKQ-HEBQKEAUSA-N
MW432.59 g/mol
LogP2.53
Rot. Bonds4

About 1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide (PubChem CID 71146847) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide
PubChem CID71146847
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide
SMILESO=C(NC1CC[C@H]2C[C@H]3CC(O)(CC13)C2)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H32N2O4S/c26-22(24-21-7-6-16-12-18-14-23(27,13-16)15-20(18)21)17-8-10-25(11-9-17)30(28,29)19-4-2-1-3-5-19/h1-5,16-18,20-21,27H,6-15H2,(H,24,26)/t16-,18-,20?,21?,23?/m0/s1
InChIKeyUCYMELXEIFBGKQ-HEBQKEAUSA-N
XLogP2.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide
CID 24956832
N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide
CID 24955047
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
CID 51071212
N-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
CID 100644610
N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 133167683
1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
CID 41208727
N-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide
CID 24954685
N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40563886
N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 53283589
1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide
CID 7130571

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide (CID 71146847) is 1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide is O=C(NC1CC[C@H]2C[C@H]3CC(O)(CC13)C2)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide?
The InChIKey is UCYMELXEIFBGKQ-HEBQKEAUSA-N. The full InChI is InChI=1S/C23H32N2O4S/c26-22(24-21-7-6-16-12-18-14-23(27,13-16)15-20(18)21)17-8-10-25(11-9-17)30(28,29)19-4-2-1-3-5-19/h1-5,16-18,20-21,27H,6-15H2,(H,24,26)/t16-,18-,20?,21?,23?/m0/s1.
What are the key properties of 1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide is sourced from PubChem (CID 71146847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).