N-[(3R,4S)-3-methoxyoxan-4-yl]pyridine-3-sulfonamide

C11H16N2O4S — CID 131940059

IUPACN-[(3R,4S)-3-methoxyoxan-4-yl]pyridine-3-sulfonamide
SMILESCO[C@H]1COCC[C@@H]1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C11H16N2O4S/c1-16-11-8-17-6-4-10(11)13-18(14,15)9-3-2-5-12-7-9/h2-3,5,7,10-11,13H,4,6,8H2,1H3/t10-,11-/m0/s1
InChIKeyCDLKGOLJAJEEAE-QWRGUYRKSA-N
MW272.33 g/mol
LogP0.16
Rot. Bonds4

About N-[(3R,4S)-3-methoxyoxan-4-yl]pyridine-3-sulfonamide

N-[(3R,4S)-3-methoxyoxan-4-yl]pyridine-3-sulfonamide (PubChem CID 131940059) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[(3R,4S)-3-methoxyoxan-4-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-methoxyoxan-4-yl]pyridine-3-sulfonamide
PubChem CID131940059
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC NameN-[(3R,4S)-3-methoxyoxan-4-yl]pyridine-3-sulfonamide
SMILESCO[C@H]1COCC[C@@H]1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C11H16N2O4S/c1-16-11-8-17-6-4-10(11)13-18(14,15)9-3-2-5-12-7-9/h2-3,5,7,10-11,13H,4,6,8H2,1H3/t10-,11-/m0/s1
InChIKeyCDLKGOLJAJEEAE-QWRGUYRKSA-N
XLogP0.16
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-methoxyoxan-4-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[(3R,4S)-3-methoxyoxan-4-yl]pyridine-3-sulfonamide (CID 131940059) is N-[(3R,4S)-3-methoxyoxan-4-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(3R,4S)-3-methoxyoxan-4-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(3R,4S)-3-methoxyoxan-4-yl]pyridine-3-sulfonamide is CO[C@H]1COCC[C@@H]1NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[(3R,4S)-3-methoxyoxan-4-yl]pyridine-3-sulfonamide?
The InChIKey is CDLKGOLJAJEEAE-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-16-11-8-17-6-4-10(11)13-18(14,15)9-3-2-5-12-7-9/h2-3,5,7,10-11,13H,4,6,8H2,1H3/t10-,11-/m0/s1.
What are the key properties of N-[(3R,4S)-3-methoxyoxan-4-yl]pyridine-3-sulfonamide?
N-[(3R,4S)-3-methoxyoxan-4-yl]pyridine-3-sulfonamide has a molecular weight of 272.33 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-methoxyoxan-4-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 131940059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).