4-methoxy-N-(2-pyridin-3-ylethyl)oxolane-3-sulfonamide

C12H18N2O4S — CID 166331942

IUPAC4-methoxy-N-(2-pyridin-3-ylethyl)oxolane-3-sulfonamide
SMILESCOC1COCC1S(=O)(=O)NCCc1cccnc1
InChIInChI=1S/C12H18N2O4S/c1-17-11-8-18-9-12(11)19(15,16)14-6-4-10-3-2-5-13-7-10/h2-3,5,7,11-12,14H,4,6,8-9H2,1H3
InChIKeyKVWDESQYVUGEPL-UHFFFAOYSA-N
MW286.35 g/mol
LogP-0.04
Rot. Bonds6

About 4-methoxy-N-(2-pyridin-3-ylethyl)oxolane-3-sulfonamide

4-methoxy-N-(2-pyridin-3-ylethyl)oxolane-3-sulfonamide (PubChem CID 166331942) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-methoxy-N-(2-pyridin-3-ylethyl)oxolane-3-sulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-pyridin-3-ylethyl)oxolane-3-sulfonamide
PubChem CID166331942
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-methoxy-N-(2-pyridin-3-ylethyl)oxolane-3-sulfonamide
SMILESCOC1COCC1S(=O)(=O)NCCc1cccnc1
InChIInChI=1S/C12H18N2O4S/c1-17-11-8-18-9-12(11)19(15,16)14-6-4-10-3-2-5-13-7-10/h2-3,5,7,11-12,14H,4,6,8-9H2,1H3
InChIKeyKVWDESQYVUGEPL-UHFFFAOYSA-N
XLogP-0.04
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(sulfamoylamino)ethyl]pyridine
CID 112684347
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
CID 135095882
3-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]pyridine
CID 47171225
3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869443
3-[4-(dimethylsulfamoylamino)butyl]pyridine
CID 110661318
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
CID 37265699
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-pyridin-3-ylethyl)oxolane-3-sulfonamide?
The IUPAC name of 4-methoxy-N-(2-pyridin-3-ylethyl)oxolane-3-sulfonamide (CID 166331942) is 4-methoxy-N-(2-pyridin-3-ylethyl)oxolane-3-sulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-pyridin-3-ylethyl)oxolane-3-sulfonamide?
The canonical SMILES for 4-methoxy-N-(2-pyridin-3-ylethyl)oxolane-3-sulfonamide is COC1COCC1S(=O)(=O)NCCc1cccnc1.
What is the InChIKey of 4-methoxy-N-(2-pyridin-3-ylethyl)oxolane-3-sulfonamide?
The InChIKey is KVWDESQYVUGEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-17-11-8-18-9-12(11)19(15,16)14-6-4-10-3-2-5-13-7-10/h2-3,5,7,11-12,14H,4,6,8-9H2,1H3.
What are the key properties of 4-methoxy-N-(2-pyridin-3-ylethyl)oxolane-3-sulfonamide?
4-methoxy-N-(2-pyridin-3-ylethyl)oxolane-3-sulfonamide has a molecular weight of 286.35 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-pyridin-3-ylethyl)oxolane-3-sulfonamide is sourced from PubChem (CID 166331942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).