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

C4H9N5O2S2 — CID 66277897

IUPAC2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
SMILESNc1nsc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C4H9N5O2S2/c5-3-8-4(12-9-3)7-1-2-13(6,10)11/h1-2H2,(H2,6,10,11)(H3,5,7,8,9)
InChIKeyMVNBCNBVHBLLCA-UHFFFAOYSA-N
MW223.28 g/mol
LogP-1.18
Rot. Bonds4

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

2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide (PubChem CID 66277897) has the molecular formula C4H9N5O2S2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
PubChem CID66277897
Molecular FormulaC4H9N5O2S2
Molecular Weight223.28 g/mol
Exact Mass223.02
IUPAC Name2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
SMILESNc1nsc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C4H9N5O2S2/c5-3-8-4(12-9-3)7-1-2-13(6,10)11/h1-2H2,(H2,6,10,11)(H3,5,7,8,9)
InChIKeyMVNBCNBVHBLLCA-UHFFFAOYSA-N
XLogP-1.18
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide (CID 66277897) is 2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide is Nc1nsc(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
The InChIKey is MVNBCNBVHBLLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5O2S2/c5-3-8-4(12-9-3)7-1-2-13(6,10)11/h1-2H2,(H2,6,10,11)(H3,5,7,8,9).
What are the key properties of 2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide has a molecular weight of 223.28 g/mol, XLogP of -1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide is sourced from PubChem (CID 66277897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).