N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide

C14H19N3O2S — CID 119982900

IUPACN-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide
SMILESCC(CN)N(C)S(=O)(=O)Cc1cccc2cccnc12
InChIInChI=1S/C14H19N3O2S/c1-11(9-15)17(2)20(18,19)10-13-6-3-5-12-7-4-8-16-14(12)13/h3-8,11H,9-10,15H2,1-2H3
InChIKeyLMFQTZJNFJZWQH-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.34
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide

N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide (PubChem CID 119982900) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide
PubChem CID119982900
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide
SMILESCC(CN)N(C)S(=O)(=O)Cc1cccc2cccnc12
InChIInChI=1S/C14H19N3O2S/c1-11(9-15)17(2)20(18,19)10-13-6-3-5-12-7-4-8-16-14(12)13/h3-8,11H,9-10,15H2,1-2H3
InChIKeyLMFQTZJNFJZWQH-UHFFFAOYSA-N
XLogP1.34
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide
CID 119983405
N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-1-quinolin-8-ylmethanesulfonamide
CID 75433584
N-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide
CID 75372180
4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide
CID 42929119
N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride
CID 119982693
1-quinolin-8-ylpropan-2-amine
CID 63968867
quinolin-8-ylmethanamine;hydrochloride
CID 50988699
N-(quinolin-8-ylmethyl)ethanesulfonamide
CID 47470366
N-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119982474
N-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine
CID 46551770
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide
CID 119982695

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide (CID 119982900) is N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide is CC(CN)N(C)S(=O)(=O)Cc1cccc2cccnc12.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide?
The InChIKey is LMFQTZJNFJZWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-11(9-15)17(2)20(18,19)10-13-6-3-5-12-7-4-8-16-14(12)13/h3-8,11H,9-10,15H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide?
N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide is sourced from PubChem (CID 119982900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).