2-amino-N-butan-2-yl-N-ethylquinoline-6-sulfonamide

C15H21N3O2S — CID 62144467

IUPAC2-amino-N-butan-2-yl-N-ethylquinoline-6-sulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)c1ccc2nc(N)ccc2c1
InChIInChI=1S/C15H21N3O2S/c1-4-11(3)18(5-2)21(19,20)13-7-8-14-12(10-13)6-9-15(16)17-14/h6-11H,4-5H2,1-3H3,(H2,16,17)
InChIKeyPKGZGDIQEBLHRZ-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.63
Rot. Bonds5

About 2-amino-N-butan-2-yl-N-ethylquinoline-6-sulfonamide

2-amino-N-butan-2-yl-N-ethylquinoline-6-sulfonamide (PubChem CID 62144467) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-N-ethylquinoline-6-sulfonamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-N-ethylquinoline-6-sulfonamide
PubChem CID62144467
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-amino-N-butan-2-yl-N-ethylquinoline-6-sulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)c1ccc2nc(N)ccc2c1
InChIInChI=1S/C15H21N3O2S/c1-4-11(3)18(5-2)21(19,20)13-7-8-14-12(10-13)6-9-15(16)17-14/h6-11H,4-5H2,1-3H3,(H2,16,17)
InChIKeyPKGZGDIQEBLHRZ-UHFFFAOYSA-N
XLogP2.63
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-N-ethylquinoline-6-sulfonamide?
The IUPAC name of 2-amino-N-butan-2-yl-N-ethylquinoline-6-sulfonamide (CID 62144467) is 2-amino-N-butan-2-yl-N-ethylquinoline-6-sulfonamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-N-ethylquinoline-6-sulfonamide?
The canonical SMILES for 2-amino-N-butan-2-yl-N-ethylquinoline-6-sulfonamide is CCC(C)N(CC)S(=O)(=O)c1ccc2nc(N)ccc2c1.
What is the InChIKey of 2-amino-N-butan-2-yl-N-ethylquinoline-6-sulfonamide?
The InChIKey is PKGZGDIQEBLHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-11(3)18(5-2)21(19,20)13-7-8-14-12(10-13)6-9-15(16)17-14/h6-11H,4-5H2,1-3H3,(H2,16,17).
What are the key properties of 2-amino-N-butan-2-yl-N-ethylquinoline-6-sulfonamide?
2-amino-N-butan-2-yl-N-ethylquinoline-6-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-N-ethylquinoline-6-sulfonamide is sourced from PubChem (CID 62144467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).