2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-N-ethylethanesulfonamide

C6H11ClN4O2S2 — CID 106341600

IUPAC2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nsnc1Cl
InChIInChI=1S/C6H11ClN4O2S2/c1-2-9-15(12,13)4-3-8-6-5(7)10-14-11-6/h9H,2-4H2,1H3,(H,8,11)
InChIKeyAYBOPBDXILYYGI-UHFFFAOYSA-N
MW270.77 g/mol
LogP0.54
Rot. Bonds6

About 2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-N-ethylethanesulfonamide

2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-N-ethylethanesulfonamide (PubChem CID 106341600) has the molecular formula C6H11ClN4O2S2 and a molecular weight of 270.77 g/mol. Its IUPAC name is 2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-N-ethylethanesulfonamide
PubChem CID106341600
Molecular FormulaC6H11ClN4O2S2
Molecular Weight270.77 g/mol
Exact Mass270.00
IUPAC Name2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nsnc1Cl
InChIInChI=1S/C6H11ClN4O2S2/c1-2-9-15(12,13)4-3-8-6-5(7)10-14-11-6/h9H,2-4H2,1H3,(H,8,11)
InChIKeyAYBOPBDXILYYGI-UHFFFAOYSA-N
XLogP0.54
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-N-ethylethanesulfonamide (CID 106341600) is 2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1nsnc1Cl.
What is the InChIKey of 2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-N-ethylethanesulfonamide?
The InChIKey is AYBOPBDXILYYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN4O2S2/c1-2-9-15(12,13)4-3-8-6-5(7)10-14-11-6/h9H,2-4H2,1H3,(H,8,11).
What are the key properties of 2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-N-ethylethanesulfonamide?
2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-N-ethylethanesulfonamide has a molecular weight of 270.77 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106341600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).