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

C14H19N3O2S — CID 62143579

IUPAC2-amino-N-butan-2-yl-N-methylquinoline-6-sulfonamide
SMILESCCC(C)N(C)S(=O)(=O)c1ccc2nc(N)ccc2c1
InChIInChI=1S/C14H19N3O2S/c1-4-10(2)17(3)20(18,19)12-6-7-13-11(9-12)5-8-14(15)16-13/h5-10H,4H2,1-3H3,(H2,15,16)
InChIKeyLZUPELXPZYTSMN-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.24
Rot. Bonds4

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

2-amino-N-butan-2-yl-N-methylquinoline-6-sulfonamide (PubChem CID 62143579) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-N-methylquinoline-6-sulfonamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-N-methylquinoline-6-sulfonamide
PubChem CID62143579
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-amino-N-butan-2-yl-N-methylquinoline-6-sulfonamide
SMILESCCC(C)N(C)S(=O)(=O)c1ccc2nc(N)ccc2c1
InChIInChI=1S/C14H19N3O2S/c1-4-10(2)17(3)20(18,19)12-6-7-13-11(9-12)5-8-14(15)16-13/h5-10H,4H2,1-3H3,(H2,15,16)
InChIKeyLZUPELXPZYTSMN-UHFFFAOYSA-N
XLogP2.24
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.24
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-methylquinoline-6-sulfonamide?
The IUPAC name of 2-amino-N-butan-2-yl-N-methylquinoline-6-sulfonamide (CID 62143579) is 2-amino-N-butan-2-yl-N-methylquinoline-6-sulfonamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-N-methylquinoline-6-sulfonamide?
The canonical SMILES for 2-amino-N-butan-2-yl-N-methylquinoline-6-sulfonamide is CCC(C)N(C)S(=O)(=O)c1ccc2nc(N)ccc2c1.
What is the InChIKey of 2-amino-N-butan-2-yl-N-methylquinoline-6-sulfonamide?
The InChIKey is LZUPELXPZYTSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-10(2)17(3)20(18,19)12-6-7-13-11(9-12)5-8-14(15)16-13/h5-10H,4H2,1-3H3,(H2,15,16).
What are the key properties of 2-amino-N-butan-2-yl-N-methylquinoline-6-sulfonamide?
2-amino-N-butan-2-yl-N-methylquinoline-6-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.24, 4 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-methylquinoline-6-sulfonamide is sourced from PubChem (CID 62143579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).