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

C13H20N4O3S — CID 106339594

IUPACN-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1cccc2c1NCCN2
InChIInChI=1S/C13H20N4O3S/c1-17(2)21(19,20)9-8-16-13(18)10-4-3-5-11-12(10)15-7-6-14-11/h3-5,14-15H,6-9H2,1-2H3,(H,16,18)
InChIKeyDKXNZWLDMFGVGJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.15
Rot. Bonds5

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

N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (PubChem CID 106339594) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
PubChem CID106339594
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1cccc2c1NCCN2
InChIInChI=1S/C13H20N4O3S/c1-17(2)21(19,20)9-8-16-13(18)10-4-3-5-11-12(10)15-7-6-14-11/h3-5,14-15H,6-9H2,1-2H3,(H,16,18)
InChIKeyDKXNZWLDMFGVGJ-UHFFFAOYSA-N
XLogP0.15
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106339568
N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614467
N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614369
N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide
CID 106339701
2-(1,2,3,4-tetrahydroquinoxaline-5-carbonylamino)ethyl carbamate
CID 104615253
N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide
CID 106340126
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615150
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615046
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615174
N-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614770
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614657
N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 113433226

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (CID 106339594) is N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is CN(C)S(=O)(=O)CCNC(=O)c1cccc2c1NCCN2.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The InChIKey is DKXNZWLDMFGVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-17(2)21(19,20)9-8-16-13(18)10-4-3-5-11-12(10)15-7-6-14-11/h3-5,14-15H,6-9H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is sourced from PubChem (CID 106339594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).