5-[2-(methylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide

C10H13N5O2S2 — CID 106082094

IUPAC5-[2-(methylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)Nc2nccnn2)s1
InChIInChI=1S/C10H13N5O2S2/c1-11-5-4-8-2-3-9(18-8)19(16,17)15-10-12-6-7-13-14-10/h2-3,6-7,11H,4-5H2,1H3,(H,12,14,15)
InChIKeyUMIMCZKCXWAYNO-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.50
Rot. Bonds6

About 5-[2-(methylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide

5-[2-(methylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide (PubChem CID 106082094) has the molecular formula C10H13N5O2S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-[2-(methylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(methylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
PubChem CID106082094
Molecular FormulaC10H13N5O2S2
Molecular Weight299.38 g/mol
Exact Mass299.05
IUPAC Name5-[2-(methylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)Nc2nccnn2)s1
InChIInChI=1S/C10H13N5O2S2/c1-11-5-4-8-2-3-9(18-8)19(16,17)15-10-12-6-7-13-14-10/h2-3,6-7,11H,4-5H2,1H3,(H,12,14,15)
InChIKeyUMIMCZKCXWAYNO-UHFFFAOYSA-N
XLogP0.50
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(methylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide (CID 106082094) is 5-[2-(methylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(methylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(methylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide is CNCCc1ccc(S(=O)(=O)Nc2nccnn2)s1.
What is the InChIKey of 5-[2-(methylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is UMIMCZKCXWAYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S2/c1-11-5-4-8-2-3-9(18-8)19(16,17)15-10-12-6-7-13-14-10/h2-3,6-7,11H,4-5H2,1H3,(H,12,14,15).
What are the key properties of 5-[2-(methylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
5-[2-(methylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 299.38 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethyl]-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106082094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).