3-(1,2,4-thiadiazol-5-ylamino)propane-1-sulfonamide

C5H10N4O2S2 — CID 65276850

IUPAC3-(1,2,4-thiadiazol-5-ylamino)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNc1ncns1
InChIInChI=1S/C5H10N4O2S2/c6-13(10,11)3-1-2-7-5-8-4-9-12-5/h4H,1-3H2,(H2,6,10,11)(H,7,8,9)
InChIKeyONNMOHGLDZBJTD-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.37
Rot. Bonds5

About 3-(1,2,4-thiadiazol-5-ylamino)propane-1-sulfonamide

3-(1,2,4-thiadiazol-5-ylamino)propane-1-sulfonamide (PubChem CID 65276850) has the molecular formula C5H10N4O2S2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(1,2,4-thiadiazol-5-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(1,2,4-thiadiazol-5-ylamino)propane-1-sulfonamide
PubChem CID65276850
Molecular FormulaC5H10N4O2S2
Molecular Weight222.29 g/mol
Exact Mass222.02
IUPAC Name3-(1,2,4-thiadiazol-5-ylamino)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNc1ncns1
InChIInChI=1S/C5H10N4O2S2/c6-13(10,11)3-1-2-7-5-8-4-9-12-5/h4H,1-3H2,(H2,6,10,11)(H,7,8,9)
InChIKeyONNMOHGLDZBJTD-UHFFFAOYSA-N
XLogP-0.37
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-thiadiazol-5-ylamino)propane-1-sulfonamide?
The IUPAC name of 3-(1,2,4-thiadiazol-5-ylamino)propane-1-sulfonamide (CID 65276850) is 3-(1,2,4-thiadiazol-5-ylamino)propane-1-sulfonamide.
What is the SMILES notation for 3-(1,2,4-thiadiazol-5-ylamino)propane-1-sulfonamide?
The canonical SMILES for 3-(1,2,4-thiadiazol-5-ylamino)propane-1-sulfonamide is NS(=O)(=O)CCCNc1ncns1.
What is the InChIKey of 3-(1,2,4-thiadiazol-5-ylamino)propane-1-sulfonamide?
The InChIKey is ONNMOHGLDZBJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2S2/c6-13(10,11)3-1-2-7-5-8-4-9-12-5/h4H,1-3H2,(H2,6,10,11)(H,7,8,9).
What are the key properties of 3-(1,2,4-thiadiazol-5-ylamino)propane-1-sulfonamide?
3-(1,2,4-thiadiazol-5-ylamino)propane-1-sulfonamide has a molecular weight of 222.29 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-thiadiazol-5-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 65276850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).