3-methyl-N-(oxolan-3-ylmethyl)quinoline-8-sulfonamide

C15H18N2O3S — CID 51080447

IUPAC3-methyl-N-(oxolan-3-ylmethyl)quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCC3CCOC3)cccc2c1
InChIInChI=1S/C15H18N2O3S/c1-11-7-13-3-2-4-14(15(13)16-8-11)21(18,19)17-9-12-5-6-20-10-12/h2-4,7-8,12,17H,5-6,9-10H2,1H3
InChIKeyDCJKWUZXILYRMY-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.86
Rot. Bonds4

About 3-methyl-N-(oxolan-3-ylmethyl)quinoline-8-sulfonamide

3-methyl-N-(oxolan-3-ylmethyl)quinoline-8-sulfonamide (PubChem CID 51080447) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-3-ylmethyl)quinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(oxolan-3-ylmethyl)quinoline-8-sulfonamide
PubChem CID51080447
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-methyl-N-(oxolan-3-ylmethyl)quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCC3CCOC3)cccc2c1
InChIInChI=1S/C15H18N2O3S/c1-11-7-13-3-2-4-14(15(13)16-8-11)21(18,19)17-9-12-5-6-20-10-12/h2-4,7-8,12,17H,5-6,9-10H2,1H3
InChIKeyDCJKWUZXILYRMY-UHFFFAOYSA-N
XLogP1.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxolan-3-ylmethyl)quinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-(oxolan-3-ylmethyl)quinoline-8-sulfonamide (CID 51080447) is 3-methyl-N-(oxolan-3-ylmethyl)quinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-(oxolan-3-ylmethyl)quinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-(oxolan-3-ylmethyl)quinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)NCC3CCOC3)cccc2c1.
What is the InChIKey of 3-methyl-N-(oxolan-3-ylmethyl)quinoline-8-sulfonamide?
The InChIKey is DCJKWUZXILYRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-7-13-3-2-4-14(15(13)16-8-11)21(18,19)17-9-12-5-6-20-10-12/h2-4,7-8,12,17H,5-6,9-10H2,1H3.
What are the key properties of 3-methyl-N-(oxolan-3-ylmethyl)quinoline-8-sulfonamide?
3-methyl-N-(oxolan-3-ylmethyl)quinoline-8-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxolan-3-ylmethyl)quinoline-8-sulfonamide is sourced from PubChem (CID 51080447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).