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

C7H12N4O2S2 — CID 65271563

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1nc(C2CC2)ns1
InChIInChI=1S/C7H12N4O2S2/c8-15(12,13)4-3-9-7-10-6(11-14-7)5-1-2-5/h5H,1-4H2,(H2,8,12,13)(H,9,10,11)
InChIKeyCOYKYNYDUIQQJX-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.12
Rot. Bonds5

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

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide (PubChem CID 65271563) has the molecular formula C7H12N4O2S2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
PubChem CID65271563
Molecular FormulaC7H12N4O2S2
Molecular Weight248.33 g/mol
Exact Mass248.04
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1nc(C2CC2)ns1
InChIInChI=1S/C7H12N4O2S2/c8-15(12,13)4-3-9-7-10-6(11-14-7)5-1-2-5/h5H,1-4H2,(H2,8,12,13)(H,9,10,11)
InChIKeyCOYKYNYDUIQQJX-UHFFFAOYSA-N
XLogP0.12
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide (CID 65271563) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide is NS(=O)(=O)CCNc1nc(C2CC2)ns1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
The InChIKey is COYKYNYDUIQQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S2/c8-15(12,13)4-3-9-7-10-6(11-14-7)5-1-2-5/h5H,1-4H2,(H2,8,12,13)(H,9,10,11).
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide has a molecular weight of 248.33 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanesulfonamide is sourced from PubChem (CID 65271563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).