1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide

C19H26N2O3S — CID 100644384

IUPAC1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide
SMILESO=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H26N2O3S/c22-19(20-18-13-14-6-7-16(18)12-14)15-8-10-21(11-9-15)25(23,24)17-4-2-1-3-5-17/h1-5,14-16,18H,6-13H2,(H,20,22)/t14-,16-,18+/m1/s1
InChIKeyRVWNVNICSWRJKY-KYJSFNMBSA-N
MW362.50 g/mol
LogP2.39
Rot. Bonds4

About 1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide (PubChem CID 100644384) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide
PubChem CID100644384
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide
SMILESO=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H26N2O3S/c22-19(20-18-13-14-6-7-16(18)12-14)15-8-10-21(11-9-15)25(23,24)17-4-2-1-3-5-17/h1-5,14-16,18H,6-13H2,(H,20,22)/t14-,16-,18+/m1/s1
InChIKeyRVWNVNICSWRJKY-KYJSFNMBSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-N-(2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
CID 131956185
N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 133167683
N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 53283589
1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide
CID 71146847
1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide
CID 24956832
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 95118913
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
CID 51071212
(3R)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100672958
(3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 124765426
(3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 124765425
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 98112728
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642579

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide (CID 100644384) is 1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide is O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide?
The InChIKey is RVWNVNICSWRJKY-KYJSFNMBSA-N. The full InChI is InChI=1S/C19H26N2O3S/c22-19(20-18-13-14-6-7-16(18)12-14)15-8-10-21(11-9-15)25(23,24)17-4-2-1-3-5-17/h1-5,14-16,18H,6-13H2,(H,20,22)/t14-,16-,18+/m1/s1.
What are the key properties of 1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide is sourced from PubChem (CID 100644384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).