(1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide

C13H14N2O4S — CID 154846144

IUPAC(1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccn1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12
InChIInChI=1S/C13H14N2O4S/c16-13(9-6-10-7-5-8(7)12(9)19-10)15-20(17,18)11-3-1-2-4-14-11/h1-4,7-10,12H,5-6H2,(H,15,16)/t7-,8+,9-,10+,12+/m1/s1
InChIKeyDSYFNKHNXHQFCG-ULHKAFAUSA-N
MW294.33 g/mol
LogP0.31
Rot. Bonds3

About (1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide

(1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide (PubChem CID 154846144) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is (1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide.

Molecular Properties

Compound Name(1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide
PubChem CID154846144
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name(1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccn1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12
InChIInChI=1S/C13H14N2O4S/c16-13(9-6-10-7-5-8(7)12(9)19-10)15-20(17,18)11-3-1-2-4-14-11/h1-4,7-10,12H,5-6H2,(H,15,16)/t7-,8+,9-,10+,12+/m1/s1
InChIKeyDSYFNKHNXHQFCG-ULHKAFAUSA-N
XLogP0.31
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide with MolForge

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Related Compounds

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CID 134124422
pyridin-2-ylsulfonylthiourea
CID 19808514
1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea
CID 154852000
4-amino-N-pyridin-2-ylsulfonylbenzamide
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CID 132544567
2-methyl-N-pyridazin-3-ylsulfonylcyclohexane-1-carboxamide
CID 167993117
(1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 100633749
3-cyclopentyl-1-methyl-N-pyridin-2-ylsulfonylpyrazole-4-carboxamide
CID 146104183
N-(trifluoromethylsulfonyl)pyridine-2-sulfonamide
CID 118861928
2-(pyridin-2-ylsulfonylsulfamoyl)acetic acid
CID 118860101
bis(pyridin-2-ylsulfonyl)methanone
CID 129080912

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide?
The IUPAC name of (1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide (CID 154846144) is (1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide.
What is the SMILES notation for (1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide?
The canonical SMILES for (1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide is O=C(NS(=O)(=O)c1ccccn1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12.
What is the InChIKey of (1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide?
The InChIKey is DSYFNKHNXHQFCG-ULHKAFAUSA-N. The full InChI is InChI=1S/C13H14N2O4S/c16-13(9-6-10-7-5-8(7)12(9)19-10)15-20(17,18)11-3-1-2-4-14-11/h1-4,7-10,12H,5-6H2,(H,15,16)/t7-,8+,9-,10+,12+/m1/s1.
What are the key properties of (1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide?
(1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,5S,6R)-N-pyridin-2-ylsulfonyl-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide is sourced from PubChem (CID 154846144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).