2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide

C10H13N5O2S2 — CID 106082978

IUPAC2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccsc2CN)nc1C
InChIInChI=1S/C10H13N5O2S2/c1-6-7(2)13-14-10(12-6)15-19(16,17)9-3-4-18-8(9)5-11/h3-4H,5,11H2,1-2H3,(H,12,14,15)
InChIKeyCTYGSXFBYVDHMK-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.81
Rot. Bonds4

About 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide

2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide (PubChem CID 106082978) has the molecular formula C10H13N5O2S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide
PubChem CID106082978
Molecular FormulaC10H13N5O2S2
Molecular Weight299.38 g/mol
Exact Mass299.05
IUPAC Name2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccsc2CN)nc1C
InChIInChI=1S/C10H13N5O2S2/c1-6-7(2)13-14-10(12-6)15-19(16,17)9-3-4-18-8(9)5-11/h3-4H,5,11H2,1-2H3,(H,12,14,15)
InChIKeyCTYGSXFBYVDHMK-UHFFFAOYSA-N
XLogP0.81
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106019045
5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 106082976
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,4-difluorobenzenesulfonamide
CID 107343922
2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide
CID 106059491
5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114386821
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114389263
2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide
CID 114102326
4-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386867
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114386828
2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114389114
2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide
CID 106056025
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 106032375

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide (CID 106082978) is 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide is Cc1nnc(NS(=O)(=O)c2ccsc2CN)nc1C.
What is the InChIKey of 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide?
The InChIKey is CTYGSXFBYVDHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S2/c1-6-7(2)13-14-10(12-6)15-19(16,17)9-3-4-18-8(9)5-11/h3-4H,5,11H2,1-2H3,(H,12,14,15).
What are the key properties of 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide?
2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide has a molecular weight of 299.38 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106082978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).