1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide

C13H24N6O3S — CID 70706077

IUPAC1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide
SMILESCN(CCNC(=O)c1cn(C2CCC(N)CC2)nn1)S(C)(=O)=O
InChIInChI=1S/C13H24N6O3S/c1-18(23(2,21)22)8-7-15-13(20)12-9-19(17-16-12)11-5-3-10(14)4-6-11/h9-11H,3-8,14H2,1-2H3,(H,15,20)
InChIKeyUIIGAZCSQSLUMB-UHFFFAOYSA-N
MW344.44 g/mol
LogP-0.66
Rot. Bonds6

About 1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide

1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide (PubChem CID 70706077) has the molecular formula C13H24N6O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide
PubChem CID70706077
Molecular FormulaC13H24N6O3S
Molecular Weight344.44 g/mol
Exact Mass344.16
IUPAC Name1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide
SMILESCN(CCNC(=O)c1cn(C2CCC(N)CC2)nn1)S(C)(=O)=O
InChIInChI=1S/C13H24N6O3S/c1-18(23(2,21)22)8-7-15-13(20)12-9-19(17-16-12)11-5-3-10(14)4-6-11/h9-11H,3-8,14H2,1-2H3,(H,15,20)
InChIKeyUIIGAZCSQSLUMB-UHFFFAOYSA-N
XLogP-0.66
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95205588
N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119863842
1-(4-aminocyclohexyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 70742026
1-[(3R,4R)-1-[1-(4-aminocyclohexyl)triazole-4-carbonyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 135090785
1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 70777138
N-[2-[butan-2-yl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119874287
1-(4-aminocyclohexyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]triazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154894907
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide
CID 26398153
1-(4-aminocyclohexyl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide
CID 70788678
N-[2-[benzyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119862234
1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride
CID 154917173

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide (CID 70706077) is 1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide is CN(CCNC(=O)c1cn(C2CCC(N)CC2)nn1)S(C)(=O)=O.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide?
The InChIKey is UIIGAZCSQSLUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O3S/c1-18(23(2,21)22)8-7-15-13(20)12-9-19(17-16-12)11-5-3-10(14)4-6-11/h9-11H,3-8,14H2,1-2H3,(H,15,20).
What are the key properties of 1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide?
1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of -0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 70706077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).