N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide

C16H23N3O2S — CID 119983405

IUPACN-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide
SMILESCC(C)CC(CN)NS(=O)(=O)Cc1cccc2cccnc12
InChIInChI=1S/C16H23N3O2S/c1-12(2)9-15(10-17)19-22(20,21)11-14-6-3-5-13-7-4-8-18-16(13)14/h3-8,12,15,19H,9-11,17H2,1-2H3
InChIKeyXRZFTQZXIKOXOO-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.03
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide

N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide (PubChem CID 119983405) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide
PubChem CID119983405
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide
SMILESCC(C)CC(CN)NS(=O)(=O)Cc1cccc2cccnc12
InChIInChI=1S/C16H23N3O2S/c1-12(2)9-15(10-17)19-22(20,21)11-14-6-3-5-13-7-4-8-18-16(13)14/h3-8,12,15,19H,9-11,17H2,1-2H3
InChIKeyXRZFTQZXIKOXOO-UHFFFAOYSA-N
XLogP2.03
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide
CID 97238593
N-[(1R)-2-hydroxy-1-phenylethyl]-1-quinolin-8-ylmethanesulfonamide
CID 97239230
N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide
CID 119982900
N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-quinolin-8-ylmethanesulfonamide
CID 129425381
N-(quinolin-8-ylmethyl)ethanesulfonamide
CID 47470366
N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride
CID 119960786
2-phenyl-3-quinolin-8-ylpropan-1-amine
CID 81223704
N-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-1-quinolin-8-ylmethanesulfonamide
CID 75391639
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
1-quinolin-8-ylpropan-2-amine
CID 63968867
(2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide
CID 122490796
N-(quinolin-8-ylmethylsulfonyl)cyclopropanecarboxamide
CID 155945521

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide (CID 119983405) is N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide is CC(C)CC(CN)NS(=O)(=O)Cc1cccc2cccnc12.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide?
The InChIKey is XRZFTQZXIKOXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-12(2)9-15(10-17)19-22(20,21)11-14-6-3-5-13-7-4-8-18-16(13)14/h3-8,12,15,19H,9-11,17H2,1-2H3.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide?
N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide is sourced from PubChem (CID 119983405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).