N-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide

C14H19N3O3S — CID 106181485

IUPACN-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide
SMILESCOCC(CN)NS(=O)(=O)c1ccc(C)c2ncccc12
InChIInChI=1S/C14H19N3O3S/c1-10-5-6-13(12-4-3-7-16-14(10)12)21(18,19)17-11(8-15)9-20-2/h3-7,11,17H,8-9,15H2,1-2H3
InChIKeyDFYVYLSSNODIJA-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.80
Rot. Bonds6

About N-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide

N-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide (PubChem CID 106181485) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide
PubChem CID106181485
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide
SMILESCOCC(CN)NS(=O)(=O)c1ccc(C)c2ncccc12
InChIInChI=1S/C14H19N3O3S/c1-10-5-6-13(12-4-3-7-16-14(10)12)21(18,19)17-11(8-15)9-20-2/h3-7,11,17H,8-9,15H2,1-2H3
InChIKeyDFYVYLSSNODIJA-UHFFFAOYSA-N
XLogP0.80
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide
CID 120585095
N-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide
CID 115650497
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
(2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid
CID 103862690
2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid
CID 104773542
N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide
CID 95933685
N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591258
N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide
CID 104774049
2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide
CID 113451704
N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591254
2-[(8-methylquinolin-5-yl)sulfonylamino]ethanethioamide
CID 104773629
N-[1-(aminomethyl)cyclopentyl]-8-methylquinoline-5-sulfonamide
CID 119980863

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide (CID 106181485) is N-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide is COCC(CN)NS(=O)(=O)c1ccc(C)c2ncccc12.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide?
The InChIKey is DFYVYLSSNODIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10-5-6-13(12-4-3-7-16-14(10)12)21(18,19)17-11(8-15)9-20-2/h3-7,11,17H,8-9,15H2,1-2H3.
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide?
N-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide is sourced from PubChem (CID 106181485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).