1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide

C9H18N6O3S — CID 106337535

IUPAC1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1cn(CCN)nn1
InChIInChI=1S/C9H18N6O3S/c1-14(2)19(17,18)6-4-11-9(16)8-7-15(5-3-10)13-12-8/h7H,3-6,10H2,1-2H3,(H,11,16)
InChIKeyZWXXYBPKFPVUDN-UHFFFAOYSA-N
MW290.35 g/mol
LogP-2.14
Rot. Bonds7

About 1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide

1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide (PubChem CID 106337535) has the molecular formula C9H18N6O3S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide
PubChem CID106337535
Molecular FormulaC9H18N6O3S
Molecular Weight290.35 g/mol
Exact Mass290.12
IUPAC Name1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1cn(CCN)nn1
InChIInChI=1S/C9H18N6O3S/c1-14(2)19(17,18)6-4-11-9(16)8-7-15(5-3-10)13-12-8/h7H,3-6,10H2,1-2H3,(H,11,16)
InChIKeyZWXXYBPKFPVUDN-UHFFFAOYSA-N
XLogP-2.14
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-2.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide
CID 105417102
1-(2-aminoethyl)-N-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxamide
CID 82873730
6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridazine-3-carboxamide
CID 114175119
1-[[[1-(2-aminoethyl)triazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312267
1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide
CID 66004025
1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide
CID 79859256
1-(2-aminoethyl)-N-but-3-yn-2-yltriazole-4-carboxamide
CID 114417029
1-[1-(2-aminoethyl)triazol-4-yl]-4-methylsulfonylbutan-1-one
CID 116583070
1-(2-aminoethyl)-N-(2,6-difluoro-3-methylphenyl)triazole-4-carboxamide
CID 82818182
1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)triazole-4-carboxamide
CID 114186214
1-(2-aminoethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]triazole-4-carboxamide
CID 103966689
1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide
CID 106336759

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide (CID 106337535) is 1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide is CN(C)S(=O)(=O)CCNC(=O)c1cn(CCN)nn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide?
The InChIKey is ZWXXYBPKFPVUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O3S/c1-14(2)19(17,18)6-4-11-9(16)8-7-15(5-3-10)13-12-8/h7H,3-6,10H2,1-2H3,(H,11,16).
What are the key properties of 1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide?
1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide has a molecular weight of 290.35 g/mol, XLogP of -2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[2-(dimethylsulfamoyl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 106337535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).