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

C5H11N5O2S2 — CID 66280540

IUPAC3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide
SMILESNc1nsc(NCCCS(N)(=O)=O)n1
InChIInChI=1S/C5H11N5O2S2/c6-4-9-5(13-10-4)8-2-1-3-14(7,11)12/h1-3H2,(H2,7,11,12)(H3,6,8,9,10)
InChIKeyTZKRUSATWXVGOL-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.79
Rot. Bonds5

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

3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide (PubChem CID 66280540) has the molecular formula C5H11N5O2S2 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide
PubChem CID66280540
Molecular FormulaC5H11N5O2S2
Molecular Weight237.31 g/mol
Exact Mass237.04
IUPAC Name3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide
SMILESNc1nsc(NCCCS(N)(=O)=O)n1
InChIInChI=1S/C5H11N5O2S2/c6-4-9-5(13-10-4)8-2-1-3-14(7,11)12/h1-3H2,(H2,7,11,12)(H3,6,8,9,10)
InChIKeyTZKRUSATWXVGOL-UHFFFAOYSA-N
XLogP-0.79
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[(3-amino-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide (CID 66280540) is 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide is Nc1nsc(NCCCS(N)(=O)=O)n1.
What is the InChIKey of 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide?
The InChIKey is TZKRUSATWXVGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O2S2/c6-4-9-5(13-10-4)8-2-1-3-14(7,11)12/h1-3H2,(H2,7,11,12)(H3,6,8,9,10).
What are the key properties of 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide?
3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide has a molecular weight of 237.31 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 66280540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).