4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide

C12H19N5O2S2 — CID 106064146

IUPAC4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)NCCc2nncn2C)c1
InChIInChI=1S/C12H19N5O2S2/c1-3-13-7-10-6-12(20-8-10)21(18,19)15-5-4-11-16-14-9-17(11)2/h6,8-9,13,15H,3-5,7H2,1-2H3
InChIKeyLKZKLUQBNNZQAN-UHFFFAOYSA-N
MW329.45 g/mol
LogP0.51
Rot. Bonds8

About 4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide

4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106064146) has the molecular formula C12H19N5O2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106064146
Molecular FormulaC12H19N5O2S2
Molecular Weight329.45 g/mol
Exact Mass329.10
IUPAC Name4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)NCCc2nncn2C)c1
InChIInChI=1S/C12H19N5O2S2/c1-3-13-7-10-6-12(20-8-10)21(18,19)15-5-4-11-16-14-9-17(11)2/h6,8-9,13,15H,3-5,7H2,1-2H3
InChIKeyLKZKLUQBNNZQAN-UHFFFAOYSA-N
XLogP0.51
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016288
4-(methylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016373
4-(ethylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106004702
4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106095026
4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074851
4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106082258
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 63330108
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 64587074
5-[2-(ethylamino)ethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016215
5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide
CID 106016201
N-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106085215
3-amino-4-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63332758

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide (CID 106064146) is 4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide is CCNCc1csc(S(=O)(=O)NCCc2nncn2C)c1.
What is the InChIKey of 4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is LKZKLUQBNNZQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S2/c1-3-13-7-10-6-12(20-8-10)21(18,19)15-5-4-11-16-14-9-17(11)2/h6,8-9,13,15H,3-5,7H2,1-2H3.
What are the key properties of 4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide?
4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 329.45 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106064146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).