3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide

C17H21N3O3S — CID 94799039

IUPAC3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)N[C@H](C)C(=O)N3CCCC3)cccc2c1
InChIInChI=1S/C17H21N3O3S/c1-12-10-14-6-5-7-15(16(14)18-11-12)24(22,23)19-13(2)17(21)20-8-3-4-9-20/h5-7,10-11,13,19H,3-4,8-9H2,1-2H3/t13-/m1/s1
InChIKeyKWNBPTQWWBVFHU-CYBMUJFWSA-N
MW347.44 g/mol
LogP1.83
Rot. Bonds4

About 3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide

3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide (PubChem CID 94799039) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide
PubChem CID94799039
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)N[C@H](C)C(=O)N3CCCC3)cccc2c1
InChIInChI=1S/C17H21N3O3S/c1-12-10-14-6-5-7-15(16(14)18-11-12)24(22,23)19-13(2)17(21)20-8-3-4-9-20/h5-7,10-11,13,19H,3-4,8-9H2,1-2H3/t13-/m1/s1
InChIKeyKWNBPTQWWBVFHU-CYBMUJFWSA-N
XLogP1.83
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide (CID 94799039) is 3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)N[C@H](C)C(=O)N3CCCC3)cccc2c1.
What is the InChIKey of 3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide?
The InChIKey is KWNBPTQWWBVFHU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-10-14-6-5-7-15(16(14)18-11-12)24(22,23)19-13(2)17(21)20-8-3-4-9-20/h5-7,10-11,13,19H,3-4,8-9H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide?
3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide has a molecular weight of 347.44 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 94799039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).