ethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate

C12H17N3O4S — CID 114463259

IUPACethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1ccc2c(c1)CCCN2
InChIInChI=1S/C12H17N3O4S/c1-2-19-12(16)15-20(17,18)14-10-5-6-11-9(8-10)4-3-7-13-11/h5-6,8,13-14H,2-4,7H2,1H3,(H,15,16)
InChIKeyHGFXPHKVJORIAH-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.45
Rot. Bonds4

About ethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate

ethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate (PubChem CID 114463259) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is ethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate
PubChem CID114463259
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Nameethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1ccc2c(c1)CCCN2
InChIInChI=1S/C12H17N3O4S/c1-2-19-12(16)15-20(17,18)14-10-5-6-11-9(8-10)4-3-7-13-11/h5-6,8,13-14H,2-4,7H2,1H3,(H,15,16)
InChIKeyHGFXPHKVJORIAH-UHFFFAOYSA-N
XLogP1.45
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate?
The IUPAC name of ethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate (CID 114463259) is ethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate.
What is the SMILES notation for ethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate?
The canonical SMILES for ethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate is CCOC(=O)NS(=O)(=O)Nc1ccc2c(c1)CCCN2.
What is the InChIKey of ethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate?
The InChIKey is HGFXPHKVJORIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-2-19-12(16)15-20(17,18)14-10-5-6-11-9(8-10)4-3-7-13-11/h5-6,8,13-14H,2-4,7H2,1H3,(H,15,16).
What are the key properties of ethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate?
ethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate has a molecular weight of 299.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)carbamate is sourced from PubChem (CID 114463259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).