3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide

C13H18N2O4S — CID 91643668

IUPAC3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide
SMILESO=C(CCC1CCOCC1)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C13H18N2O4S/c16-13(4-3-11-5-8-19-9-6-11)15-20(17,18)12-2-1-7-14-10-12/h1-2,7,10-11H,3-6,8-9H2,(H,15,16)
InChIKeyMJETUSXXZRJIFH-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.09
Rot. Bonds5

About 3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide

3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide (PubChem CID 91643668) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide.

Molecular Properties

Compound Name3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide
PubChem CID91643668
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide
SMILESO=C(CCC1CCOCC1)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C13H18N2O4S/c16-13(4-3-11-5-8-19-9-6-11)15-20(17,18)12-2-1-7-14-10-12/h1-2,7,10-11H,3-6,8-9H2,(H,15,16)
InChIKeyMJETUSXXZRJIFH-UHFFFAOYSA-N
XLogP1.09
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
CID 139006914
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
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N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
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N-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide?
The IUPAC name of 3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide (CID 91643668) is 3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide.
What is the SMILES notation for 3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide?
The canonical SMILES for 3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide is O=C(CCC1CCOCC1)NS(=O)(=O)c1cccnc1.
What is the InChIKey of 3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide?
The InChIKey is MJETUSXXZRJIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-13(4-3-11-5-8-19-9-6-11)15-20(17,18)12-2-1-7-14-10-12/h1-2,7,10-11H,3-6,8-9H2,(H,15,16).
What are the key properties of 3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide?
3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide has a molecular weight of 298.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-N-pyridin-3-ylsulfonylpropanamide is sourced from PubChem (CID 91643668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).