methyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate

C12H16N2O4S — CID 55173042

IUPACmethyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)Nc1ccc2c(c1)CCCN2
InChIInChI=1S/C12H16N2O4S/c1-18-12(15)8-19(16,17)14-10-4-5-11-9(7-10)3-2-6-13-11/h4-5,7,13-14H,2-3,6,8H2,1H3
InChIKeyDZSBMWPXXWFLOD-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.96
Rot. Bonds4

About methyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate

methyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate (PubChem CID 55173042) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is methyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate
PubChem CID55173042
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Namemethyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)Nc1ccc2c(c1)CCCN2
InChIInChI=1S/C12H16N2O4S/c1-18-12(15)8-19(16,17)14-10-4-5-11-9(7-10)3-2-6-13-11/h4-5,7,13-14H,2-3,6,8H2,1H3
InChIKeyDZSBMWPXXWFLOD-UHFFFAOYSA-N
XLogP0.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)propanoate
CID 63931457
ethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate
CID 114463259
N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide
CID 63242833
2-methylsulfonyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)ethanesulfonamide
CID 63928943
methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate
CID 10888757
2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
CID 62632226
ethyl 2-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfamoyl)acetate
CID 63900518
2-(cyclopropylmethylamino)-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide
CID 122080484
2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 61359529
1-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119547298
2-oxo-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazolidine-4-carboxamide
CID 63283396
2,4-dimethoxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride
CID 119547243

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate?
The IUPAC name of methyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate (CID 55173042) is methyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate.
What is the SMILES notation for methyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate?
The canonical SMILES for methyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate is COC(=O)CS(=O)(=O)Nc1ccc2c(c1)CCCN2.
What is the InChIKey of methyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate?
The InChIKey is DZSBMWPXXWFLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-18-12(15)8-19(16,17)14-10-4-5-11-9(7-10)3-2-6-13-11/h4-5,7,13-14H,2-3,6,8H2,1H3.
What are the key properties of methyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate?
methyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate has a molecular weight of 284.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate is sourced from PubChem (CID 55173042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).