2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide

C15H21N3O2S — CID 62143741

IUPAC2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide
SMILESCNc1ccc2cc(S(=O)(=O)NC(C)C(C)C)ccc2n1
InChIInChI=1S/C15H21N3O2S/c1-10(2)11(3)18-21(19,20)13-6-7-14-12(9-13)5-8-15(16-4)17-14/h5-11,18H,1-4H3,(H,16,17)
InChIKeySASBQMBETIBWSJ-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.60
Rot. Bonds5

About 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide

2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide (PubChem CID 62143741) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide
PubChem CID62143741
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide
SMILESCNc1ccc2cc(S(=O)(=O)NC(C)C(C)C)ccc2n1
InChIInChI=1S/C15H21N3O2S/c1-10(2)11(3)18-21(19,20)13-6-7-14-12(9-13)5-8-15(16-4)17-14/h5-11,18H,1-4H3,(H,16,17)
InChIKeySASBQMBETIBWSJ-UHFFFAOYSA-N
XLogP2.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxypropan-2-yl)-2-(methylamino)quinoline-6-sulfonamide
CID 62163537
N-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide
CID 115408548
N-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide
CID 62145303
2-hydrazinyl-N-pentan-2-ylquinoline-6-sulfonamide
CID 43456648
2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
CID 43456658
4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride
CID 43131428
N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine
CID 62143884
4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43507020
N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide
CID 115987134
2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
CID 43456723
2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide
CID 43566345
4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 42999390

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide?
The IUPAC name of 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide (CID 62143741) is 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide is CNc1ccc2cc(S(=O)(=O)NC(C)C(C)C)ccc2n1.
What is the InChIKey of 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide?
The InChIKey is SASBQMBETIBWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-10(2)11(3)18-21(19,20)13-6-7-14-12(9-13)5-8-15(16-4)17-14/h5-11,18H,1-4H3,(H,16,17).
What are the key properties of 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide?
2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide is sourced from PubChem (CID 62143741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).