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

C8H9N5O2S2 — CID 106081887

IUPAC5-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2nccnn2)cs1
InChIInChI=1S/C8H9N5O2S2/c9-4-6-3-7(5-16-6)17(14,15)13-8-10-1-2-11-12-8/h1-3,5H,4,9H2,(H,10,12,13)
InChIKeyOYCNAIUFIKAWPR-UHFFFAOYSA-N
MW271.33 g/mol
LogP0.19
Rot. Bonds4

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

5-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide (PubChem CID 106081887) has the molecular formula C8H9N5O2S2 and a molecular weight of 271.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide
PubChem CID106081887
Molecular FormulaC8H9N5O2S2
Molecular Weight271.33 g/mol
Exact Mass271.02
IUPAC Name5-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2nccnn2)cs1
InChIInChI=1S/C8H9N5O2S2/c9-4-6-3-7(5-16-6)17(14,15)13-8-10-1-2-11-12-8/h1-3,5H,4,9H2,(H,10,12,13)
InChIKeyOYCNAIUFIKAWPR-UHFFFAOYSA-N
XLogP0.19
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide (CID 106081887) is 5-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide is NCc1cc(S(=O)(=O)Nc2nccnn2)cs1.
What is the InChIKey of 5-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide?
The InChIKey is OYCNAIUFIKAWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S2/c9-4-6-3-7(5-16-6)17(14,15)13-8-10-1-2-11-12-8/h1-3,5H,4,9H2,(H,10,12,13).
What are the key properties of 5-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide?
5-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide has a molecular weight of 271.33 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106081887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).