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

C4H9N5O3S — CID 103436657

IUPAC2-[(5-amino-1,3,4-oxadiazol-2-yl)amino]ethanesulfonamide
SMILESNc1nnc(NCCS(N)(=O)=O)o1
InChIInChI=1S/C4H9N5O3S/c5-3-8-9-4(12-3)7-1-2-13(6,10)11/h1-2H2,(H2,5,8)(H,7,9)(H2,6,10,11)
InChIKeyOQLSXOFZRKFPNU-UHFFFAOYSA-N
MW207.21 g/mol
LogP-1.65
Rot. Bonds4

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

2-[(5-amino-1,3,4-oxadiazol-2-yl)amino]ethanesulfonamide (PubChem CID 103436657) has the molecular formula C4H9N5O3S and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-oxadiazol-2-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-oxadiazol-2-yl)amino]ethanesulfonamide
PubChem CID103436657
Molecular FormulaC4H9N5O3S
Molecular Weight207.21 g/mol
Exact Mass207.04
IUPAC Name2-[(5-amino-1,3,4-oxadiazol-2-yl)amino]ethanesulfonamide
SMILESNc1nnc(NCCS(N)(=O)=O)o1
InChIInChI=1S/C4H9N5O3S/c5-3-8-9-4(12-3)7-1-2-13(6,10)11/h1-2H2,(H2,5,8)(H,7,9)(H2,6,10,11)
InChIKeyOQLSXOFZRKFPNU-UHFFFAOYSA-N
XLogP-1.65
TPSA137.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-oxadiazol-2-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(5-amino-1,3,4-oxadiazol-2-yl)amino]ethanesulfonamide (CID 103436657) is 2-[(5-amino-1,3,4-oxadiazol-2-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-oxadiazol-2-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(5-amino-1,3,4-oxadiazol-2-yl)amino]ethanesulfonamide is Nc1nnc(NCCS(N)(=O)=O)o1.
What is the InChIKey of 2-[(5-amino-1,3,4-oxadiazol-2-yl)amino]ethanesulfonamide?
The InChIKey is OQLSXOFZRKFPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5O3S/c5-3-8-9-4(12-3)7-1-2-13(6,10)11/h1-2H2,(H2,5,8)(H,7,9)(H2,6,10,11).
What are the key properties of 2-[(5-amino-1,3,4-oxadiazol-2-yl)amino]ethanesulfonamide?
2-[(5-amino-1,3,4-oxadiazol-2-yl)amino]ethanesulfonamide has a molecular weight of 207.21 g/mol, XLogP of -1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-oxadiazol-2-yl)amino]ethanesulfonamide is sourced from PubChem (CID 103436657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).