N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

C12H18N4O3S — CID 106339568

IUPACN-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1cccc2c1NCCN2
InChIInChI=1S/C12H18N4O3S/c1-13-20(18,19)8-7-16-12(17)9-3-2-4-10-11(9)15-6-5-14-10/h2-4,13-15H,5-8H2,1H3,(H,16,17)
InChIKeyYQIKNDUHNMGNMP-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.20
Rot. Bonds5

About N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (PubChem CID 106339568) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
PubChem CID106339568
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC NameN-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1cccc2c1NCCN2
InChIInChI=1S/C12H18N4O3S/c1-13-20(18,19)8-7-16-12(17)9-3-2-4-10-11(9)15-6-5-14-10/h2-4,13-15H,5-8H2,1H3,(H,16,17)
InChIKeyYQIKNDUHNMGNMP-UHFFFAOYSA-N
XLogP-0.20
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106339594
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 106336780
N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614467
N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614369
2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 114175674
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615150
2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate
CID 104615253
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615046
2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 102685129
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615174
3-fluoro-2-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106340868
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614657

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The IUPAC name of N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (CID 106339568) is N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.
What is the SMILES notation for N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The canonical SMILES for N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is CNS(=O)(=O)CCNC(=O)c1cccc2c1NCCN2.
What is the InChIKey of N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The InChIKey is YQIKNDUHNMGNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-13-20(18,19)8-7-16-12(17)9-3-2-4-10-11(9)15-6-5-14-10/h2-4,13-15H,5-8H2,1H3,(H,16,17).
What are the key properties of N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide has a molecular weight of 298.37 g/mol, XLogP of -0.20, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is sourced from PubChem (CID 106339568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).