(1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide

C14H16N2O3S — CID 166268743

IUPAC(1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cccnc1)C1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C14H16N2O3S/c17-14(13-11-8-3-4-9(6-8)12(11)13)16-20(18,19)10-2-1-5-15-7-10/h1-2,5,7-9,11-13H,3-4,6H2,(H,16,17)/t8-,9+,11+,12-,13?
InChIKeyWPKKCIGGDOFEJX-ZSUSHSBXSA-N
MW292.36 g/mol
LogP1.18
Rot. Bonds3

About (1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide

(1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 166268743) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is (1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound Name(1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID166268743
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name(1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cccnc1)C1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C14H16N2O3S/c17-14(13-11-8-3-4-9(6-8)12(11)13)16-20(18,19)10-2-1-5-15-7-10/h1-2,5,7-9,11-13H,3-4,6H2,(H,16,17)/t8-,9+,11+,12-,13?
InChIKeyWPKKCIGGDOFEJX-ZSUSHSBXSA-N
XLogP1.18
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95311721
1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
CID 139006914
N-[(2R)-1-oxo-1-(pyridin-3-ylsulfonylamino)propan-2-yl]cyclohexanecarboxamide
CID 97065422
3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide
CID 91643668
3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 55145962
2-cycloheptyloxy-N-pyridin-3-ylsulfonylpropanamide
CID 91644611
N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 47331342
N-(3-aminocyclobutyl)pyridine-3-sulfonamide
CID 43597835
2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide
CID 59892161
(2R)-2-methoxy-2-phenyl-N-pyridin-3-ylsulfonylacetamide
CID 95301779
N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 113318540
methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate
CID 115617333

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of (1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide (CID 166268743) is (1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for (1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for (1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide is O=C(NS(=O)(=O)c1cccnc1)C1[C@@H]2[C@H]3CC[C@H](C3)[C@H]12.
What is the InChIKey of (1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is WPKKCIGGDOFEJX-ZSUSHSBXSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-14(13-11-8-3-4-9(6-8)12(11)13)16-20(18,19)10-2-1-5-15-7-10/h1-2,5,7-9,11-13H,3-4,6H2,(H,16,17)/t8-,9+,11+,12-,13?.
What are the key properties of (1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide?
(1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5S)-N-pyridin-3-ylsulfonyltricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 166268743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).