(2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide

C15H19N3O3S — CID 122490796

IUPAC(2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C15H19N3O3S/c1-10(2)9-12(16)15(19)18-22(20,21)13-7-3-5-11-6-4-8-17-14(11)13/h3-8,10,12H,9,16H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyYFHNXGILMUXSFA-LBPRGKRZSA-N
MW321.40 g/mol
LogP1.41
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide

(2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide (PubChem CID 122490796) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide
PubChem CID122490796
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name(2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C15H19N3O3S/c1-10(2)9-12(16)15(19)18-22(20,21)13-7-3-5-11-6-4-8-17-14(11)13/h3-8,10,12H,9,16H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyYFHNXGILMUXSFA-LBPRGKRZSA-N
XLogP1.41
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide
CID 97238593
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
[(1R)-1-amino-3-methylbutyl]boronic acid;(2S)-2-aminopropanoic acid;(2S)-3-naphthalen-1-yl-2-(quinolin-8-ylsulfonylamino)propanoic acid
CID 20676067
[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]butyl]boronic acid
CID 24861288
1-(2-methylpropyl)-N-quinolin-8-ylsulfonylindole-4-carboxamide
CID 155964211
(2S)-2-(quinolin-8-ylsulfonylamino)butanediamide
CID 70062047
(2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide
CID 122490834
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991
(2R)-2-amino-4-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 104903679
methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate
CID 74225728
2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 145138135
2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide
CID 167985202

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide (CID 122490796) is (2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide is CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of (2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide?
The InChIKey is YFHNXGILMUXSFA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10(2)9-12(16)15(19)18-22(20,21)13-7-3-5-11-6-4-8-17-14(11)13/h3-8,10,12H,9,16H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide?
(2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide has a molecular weight of 321.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide is sourced from PubChem (CID 122490796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).