2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide

C14H19N3O2S — CID 62149054

IUPAC2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc2nc(N)ccc2c1
InChIInChI=1S/C14H19N3O2S/c1-10(2)7-8-16-20(18,19)12-4-5-13-11(9-12)3-6-14(15)17-13/h3-6,9-10,16H,7-8H2,1-2H3,(H2,15,17)
InChIKeyXYERQBLGYVLWPK-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.14
Rot. Bonds5

About 2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide

2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide (PubChem CID 62149054) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide
PubChem CID62149054
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc2nc(N)ccc2c1
InChIInChI=1S/C14H19N3O2S/c1-10(2)7-8-16-20(18,19)12-4-5-13-11(9-12)3-6-14(15)17-13/h3-6,9-10,16H,7-8H2,1-2H3,(H2,15,17)
InChIKeyXYERQBLGYVLWPK-UHFFFAOYSA-N
XLogP2.14
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-butylquinoline-6-sulfonamide
CID 62148529
2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide
CID 102700466
2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide
CID 62157318
2-methyl-N-(3-methylbutyl)-1,3-benzoxazole-6-sulfonamide
CID 46374849
2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide
CID 110760149
2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide
CID 43552240
3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide
CID 29267246
2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide
CID 62143229
4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide
CID 63823461
2-amino-N-butan-2-yl-N-ethylquinoline-6-sulfonamide
CID 62144467
2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide
CID 64570321

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide?
The IUPAC name of 2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide (CID 62149054) is 2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide.
What is the SMILES notation for 2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide?
The canonical SMILES for 2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide is CC(C)CCNS(=O)(=O)c1ccc2nc(N)ccc2c1.
What is the InChIKey of 2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide?
The InChIKey is XYERQBLGYVLWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10(2)7-8-16-20(18,19)12-4-5-13-11(9-12)3-6-14(15)17-13/h3-6,9-10,16H,7-8H2,1-2H3,(H2,15,17).
What are the key properties of 2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide?
2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide is sourced from PubChem (CID 62149054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).