8-methyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]quinoline-5-sulfonamide

C15H16N2O4S — CID 124885069

IUPAC8-methyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]quinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)OC2=O)c2cccnc12
InChIInChI=1S/C15H16N2O4S/c1-9-5-6-13(11-4-3-7-16-14(9)11)22(19,20)17-12-8-10(2)21-15(12)18/h3-7,10,12,17H,8H2,1-2H3/t10-,12-/m0/s1
InChIKeyGMVZFCMIDFSUQT-JQWIXIFHSA-N
MW320.37 g/mol
LogP1.53
Rot. Bonds3

About 8-methyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]quinoline-5-sulfonamide

8-methyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]quinoline-5-sulfonamide (PubChem CID 124885069) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 8-methyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-methyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]quinoline-5-sulfonamide
PubChem CID124885069
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name8-methyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]quinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)OC2=O)c2cccnc12
InChIInChI=1S/C15H16N2O4S/c1-9-5-6-13(11-4-3-7-16-14(9)11)22(19,20)17-12-8-10(2)21-15(12)18/h3-7,10,12,17H,8H2,1-2H3/t10-,12-/m0/s1
InChIKeyGMVZFCMIDFSUQT-JQWIXIFHSA-N
XLogP1.53
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]quinoline-5-sulfonamide with MolForge

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Related Compounds

N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide
CID 104774049
N-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide
CID 167781078
8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide
CID 104774085
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-8-methylquinoline-5-sulfonamide
CID 75431341
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide
CID 95933685
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-8-methylquinoline-5-sulfonamide
CID 55559714
5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline
CID 104774152
N-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide
CID 119980863
N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591258
1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 115578255
N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide
CID 120585095

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]quinoline-5-sulfonamide?
The IUPAC name of 8-methyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]quinoline-5-sulfonamide (CID 124885069) is 8-methyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]quinoline-5-sulfonamide.
What is the SMILES notation for 8-methyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]quinoline-5-sulfonamide?
The canonical SMILES for 8-methyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]quinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)OC2=O)c2cccnc12.
What is the InChIKey of 8-methyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]quinoline-5-sulfonamide?
The InChIKey is GMVZFCMIDFSUQT-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-9-5-6-13(11-4-3-7-16-14(9)11)22(19,20)17-12-8-10(2)21-15(12)18/h3-7,10,12,17H,8H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of 8-methyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]quinoline-5-sulfonamide?
8-methyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]quinoline-5-sulfonamide has a molecular weight of 320.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]quinoline-5-sulfonamide is sourced from PubChem (CID 124885069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).