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

C8H9N5O2S2 — CID 114142214

IUPAC4-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)Nc2nccnn2)c1
InChIInChI=1S/C8H9N5O2S2/c9-4-6-3-7(16-5-6)17(14,15)13-8-10-1-2-11-12-8/h1-3,5H,4,9H2,(H,10,12,13)
InChIKeyQDEPHBBMKJEVOR-UHFFFAOYSA-N
MW271.33 g/mol
LogP0.19
Rot. Bonds4

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

4-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide (PubChem CID 114142214) has the molecular formula C8H9N5O2S2 and a molecular weight of 271.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
PubChem CID114142214
Molecular FormulaC8H9N5O2S2
Molecular Weight271.33 g/mol
Exact Mass271.02
IUPAC Name4-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)Nc2nccnn2)c1
InChIInChI=1S/C8H9N5O2S2/c9-4-6-3-7(16-5-6)17(14,15)13-8-10-1-2-11-12-8/h1-3,5H,4,9H2,(H,10,12,13)
InChIKeyQDEPHBBMKJEVOR-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 4-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide (CID 114142214) is 4-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide is NCc1csc(S(=O)(=O)Nc2nccnn2)c1.
What is the InChIKey of 4-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is QDEPHBBMKJEVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S2/c9-4-6-3-7(16-5-6)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 4-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
4-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-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 4-(aminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114142214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).