N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide

C15H21N3O2S — CID 97238593

IUPACN-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide
SMILESCC(C)C[C@@H](CN)NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C15H21N3O2S/c1-11(2)9-13(10-16)18-21(19,20)14-7-3-5-12-6-4-8-17-15(12)14/h3-8,11,13,18H,9-10,16H2,1-2H3/t13-/m0/s1
InChIKeyGQLRKMOVYQRETP-ZDUSSCGKSA-N
MW307.42 g/mol
LogP1.89
Rot. Bonds6

About N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide

N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide (PubChem CID 97238593) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide
PubChem CID97238593
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide
SMILESCC(C)C[C@@H](CN)NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C15H21N3O2S/c1-11(2)9-13(10-16)18-21(19,20)14-7-3-5-12-6-4-8-17-15(12)14/h3-8,11,13,18H,9-10,16H2,1-2H3/t13-/m0/s1
InChIKeyGQLRKMOVYQRETP-ZDUSSCGKSA-N
XLogP1.89
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide
CID 119983405
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
(2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide
CID 122490796
N-(2-amino-1-cyclopentylethyl)quinoline-8-sulfonamide;hydrochloride
CID 120584995
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
CID 119983371
N-(1-amino-4-methylpentan-2-yl)-2-fluorobenzenesulfonamide;hydrochloride
CID 119983189
methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate
CID 74225728
N-(1-amino-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 63767546
N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119983149
(2S)-2-(quinolin-8-ylsulfonylamino)butanediamide
CID 70062047
N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3716853
N-butylquinoline-8-sulfonamide
CID 2068304

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide?
The IUPAC name of N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide (CID 97238593) is N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide?
The canonical SMILES for N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide is CC(C)C[C@@H](CN)NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide?
The InChIKey is GQLRKMOVYQRETP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11(2)9-13(10-16)18-21(19,20)14-7-3-5-12-6-4-8-17-15(12)14/h3-8,11,13,18H,9-10,16H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide?
N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 97238593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).