2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide

C6H12N4O2S2 — CID 65271565

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
SMILESCCc1nsc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C6H12N4O2S2/c1-2-5-9-6(13-10-5)8-3-4-14(7,11)12/h2-4H2,1H3,(H2,7,11,12)(H,8,9,10)
InChIKeyOBLXADNGPMYLNI-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.20
Rot. Bonds5

About 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide (PubChem CID 65271565) has the molecular formula C6H12N4O2S2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
PubChem CID65271565
Molecular FormulaC6H12N4O2S2
Molecular Weight236.32 g/mol
Exact Mass236.04
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
SMILESCCc1nsc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C6H12N4O2S2/c1-2-5-9-6(13-10-5)8-3-4-14(7,11)12/h2-4H2,1H3,(H2,7,11,12)(H,8,9,10)
InChIKeyOBLXADNGPMYLNI-UHFFFAOYSA-N
XLogP-0.20
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide (CID 65271565) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide is CCc1nsc(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
The InChIKey is OBLXADNGPMYLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S2/c1-2-5-9-6(13-10-5)8-3-4-14(7,11)12/h2-4H2,1H3,(H2,7,11,12)(H,8,9,10).
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide has a molecular weight of 236.32 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide is sourced from PubChem (CID 65271565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).