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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Related Compounds

N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide
CID 119982695
N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide
CID 115317722
N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991964
N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119992368
N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide
CID 106598661
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 119992166
N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-sulfonamide
CID 25343254
N-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride
CID 120664424
N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115317706
N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119992395

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).