2-amino-N-(2,2-dimethylpropyl)-N-methylquinoline-6-sulfonamide

C15H21N3O2S — CID 62152213

IUPAC2-amino-N-(2,2-dimethylpropyl)-N-methylquinoline-6-sulfonamide
SMILESCN(CC(C)(C)C)S(=O)(=O)c1ccc2nc(N)ccc2c1
InChIInChI=1S/C15H21N3O2S/c1-15(2,3)10-18(4)21(19,20)12-6-7-13-11(9-12)5-8-14(16)17-13/h5-9H,10H2,1-4H3,(H2,16,17)
InChIKeyLNXWJKJQVUDTOK-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.48
Rot. Bonds3

About 2-amino-N-(2,2-dimethylpropyl)-N-methylquinoline-6-sulfonamide

2-amino-N-(2,2-dimethylpropyl)-N-methylquinoline-6-sulfonamide (PubChem CID 62152213) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethylpropyl)-N-methylquinoline-6-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethylpropyl)-N-methylquinoline-6-sulfonamide
PubChem CID62152213
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-amino-N-(2,2-dimethylpropyl)-N-methylquinoline-6-sulfonamide
SMILESCN(CC(C)(C)C)S(=O)(=O)c1ccc2nc(N)ccc2c1
InChIInChI=1S/C15H21N3O2S/c1-15(2,3)10-18(4)21(19,20)12-6-7-13-11(9-12)5-8-14(16)17-13/h5-9H,10H2,1-4H3,(H2,16,17)
InChIKeyLNXWJKJQVUDTOK-UHFFFAOYSA-N
XLogP2.48
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-butan-2-yl-N-methylquinoline-6-sulfonamide
CID 62143579
2-amino-N-butan-2-yl-N-ethylquinoline-6-sulfonamide
CID 62144467
6-(3,4-dimethylpyrrolidin-1-yl)sulfonylquinolin-2-amine
CID 79179415
2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide
CID 115985763
2-hydrazinyl-N-(2-hydroxyethyl)-N-methylquinoline-6-sulfonamide
CID 60961716
4-[2,2-dimethylpropyl(methyl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106920164
2-amino-N-butylquinoline-6-sulfonamide
CID 62148529
2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide
CID 62149054
2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide
CID 62861512
1-(2-aminoquinolin-6-yl)sulfonylpiperidin-4-ol
CID 62143522
3-amino-4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 113288382
3-chloro-N-(2,2-dimethylpropyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090736

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethylpropyl)-N-methylquinoline-6-sulfonamide?
The IUPAC name of 2-amino-N-(2,2-dimethylpropyl)-N-methylquinoline-6-sulfonamide (CID 62152213) is 2-amino-N-(2,2-dimethylpropyl)-N-methylquinoline-6-sulfonamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethylpropyl)-N-methylquinoline-6-sulfonamide?
The canonical SMILES for 2-amino-N-(2,2-dimethylpropyl)-N-methylquinoline-6-sulfonamide is CN(CC(C)(C)C)S(=O)(=O)c1ccc2nc(N)ccc2c1.
What is the InChIKey of 2-amino-N-(2,2-dimethylpropyl)-N-methylquinoline-6-sulfonamide?
The InChIKey is LNXWJKJQVUDTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(2,3)10-18(4)21(19,20)12-6-7-13-11(9-12)5-8-14(16)17-13/h5-9H,10H2,1-4H3,(H2,16,17).
What are the key properties of 2-amino-N-(2,2-dimethylpropyl)-N-methylquinoline-6-sulfonamide?
2-amino-N-(2,2-dimethylpropyl)-N-methylquinoline-6-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethylpropyl)-N-methylquinoline-6-sulfonamide is sourced from PubChem (CID 62152213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).