N-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide

C17H25N3O2S — CID 119992175

IUPACN-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)N(C)CCC(N)C(C)C)cccc2c1
InChIInChI=1S/C17H25N3O2S/c1-12(2)15(18)8-9-20(4)23(21,22)16-7-5-6-14-10-13(3)11-19-17(14)16/h5-7,10-12,15H,8-9,18H2,1-4H3
InChIKeyDYZASXVQBYSQHI-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.54
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide

N-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide (PubChem CID 119992175) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide
PubChem CID119992175
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)N(C)CCC(N)C(C)C)cccc2c1
InChIInChI=1S/C17H25N3O2S/c1-12(2)15(18)8-9-20(4)23(21,22)16-7-5-6-14-10-13(3)11-19-17(14)16/h5-7,10-12,15H,8-9,18H2,1-4H3
InChIKeyDYZASXVQBYSQHI-UHFFFAOYSA-N
XLogP2.54
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide (CID 119992175) is N-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)N(C)CCC(N)C(C)C)cccc2c1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide?
The InChIKey is DYZASXVQBYSQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-12(2)15(18)8-9-20(4)23(21,22)16-7-5-6-14-10-13(3)11-19-17(14)16/h5-7,10-12,15H,8-9,18H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide?
N-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide has a molecular weight of 335.47 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide is sourced from PubChem (CID 119992175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).