2-(thiadiazol-4-ylmethylamino)ethanesulfonamide

C5H10N4O2S2 — CID 43664153

IUPAC2-(thiadiazol-4-ylmethylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNCc1csnn1
InChIInChI=1S/C5H10N4O2S2/c6-13(10,11)2-1-7-3-5-4-12-9-8-5/h4,7H,1-3H2,(H2,6,10,11)
InChIKeyYPECSQBQBFKKKV-UHFFFAOYSA-N
MW222.29 g/mol
LogP-1.08
Rot. Bonds5

About 2-(thiadiazol-4-ylmethylamino)ethanesulfonamide

2-(thiadiazol-4-ylmethylamino)ethanesulfonamide (PubChem CID 43664153) has the molecular formula C5H10N4O2S2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(thiadiazol-4-ylmethylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(thiadiazol-4-ylmethylamino)ethanesulfonamide
PubChem CID43664153
Molecular FormulaC5H10N4O2S2
Molecular Weight222.29 g/mol
Exact Mass222.02
IUPAC Name2-(thiadiazol-4-ylmethylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNCc1csnn1
InChIInChI=1S/C5H10N4O2S2/c6-13(10,11)2-1-7-3-5-4-12-9-8-5/h4,7H,1-3H2,(H2,6,10,11)
InChIKeyYPECSQBQBFKKKV-UHFFFAOYSA-N
XLogP-1.08
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(thiadiazol-4-ylmethylamino)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazol-4-ylmethylamino)ethanesulfonamide?
The IUPAC name of 2-(thiadiazol-4-ylmethylamino)ethanesulfonamide (CID 43664153) is 2-(thiadiazol-4-ylmethylamino)ethanesulfonamide.
What is the SMILES notation for 2-(thiadiazol-4-ylmethylamino)ethanesulfonamide?
The canonical SMILES for 2-(thiadiazol-4-ylmethylamino)ethanesulfonamide is NS(=O)(=O)CCNCc1csnn1.
What is the InChIKey of 2-(thiadiazol-4-ylmethylamino)ethanesulfonamide?
The InChIKey is YPECSQBQBFKKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2S2/c6-13(10,11)2-1-7-3-5-4-12-9-8-5/h4,7H,1-3H2,(H2,6,10,11).
What are the key properties of 2-(thiadiazol-4-ylmethylamino)ethanesulfonamide?
2-(thiadiazol-4-ylmethylamino)ethanesulfonamide has a molecular weight of 222.29 g/mol, XLogP of -1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazol-4-ylmethylamino)ethanesulfonamide is sourced from PubChem (CID 43664153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).