methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate

C14H16N2O4S — CID 71246852

IUPACmethyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate
SMILESCOC(=O)C(C)(C)NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C14H16N2O4S/c1-14(2,13(17)20-3)16-21(18,19)11-8-4-6-10-7-5-9-15-12(10)11/h4-9,16H,1-3H3
InChIKeyHITZEQOUFKSYCY-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.46
Rot. Bonds4

About methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate

methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate (PubChem CID 71246852) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate
PubChem CID71246852
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Namemethyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate
SMILESCOC(=O)C(C)(C)NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C14H16N2O4S/c1-14(2,13(17)20-3)16-21(18,19)11-8-4-6-10-7-5-9-15-12(10)11/h4-9,16H,1-3H3
InChIKeyHITZEQOUFKSYCY-UHFFFAOYSA-N
XLogP1.46
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 71246516
methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate
CID 74225728
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate
CID 79622266
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate
CID 4198827
methyl N'-quinolin-8-ylsulfonylcarbamimidate
CID 4663041
3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide
CID 90294234
2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid
CID 118468092
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-(2,3-dimethoxyphenyl)quinoline-8-sulfonamide
CID 3866922
N-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 71248984

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate?
The IUPAC name of methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate (CID 71246852) is methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate?
The canonical SMILES for methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate is COC(=O)C(C)(C)NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate?
The InChIKey is HITZEQOUFKSYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-14(2,13(17)20-3)16-21(18,19)11-8-4-6-10-7-5-9-15-12(10)11/h4-9,16H,1-3H3.
What are the key properties of methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate?
methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate has a molecular weight of 308.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate is sourced from PubChem (CID 71246852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).