2-(1,3,4-thiadiazol-2-ylsulfonyl)ethanamine

C4H7N3O2S2 — CID 58684887

IUPAC2-(1,3,4-thiadiazol-2-ylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)c1nncs1
InChIInChI=1S/C4H7N3O2S2/c5-1-2-11(8,9)4-7-6-3-10-4/h3H,1-2,5H2
InChIKeySARDXAGOWGZDKN-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.73
Rot. Bonds3

About 2-(1,3,4-thiadiazol-2-ylsulfonyl)ethanamine

2-(1,3,4-thiadiazol-2-ylsulfonyl)ethanamine (PubChem CID 58684887) has the molecular formula C4H7N3O2S2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-ylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-ylsulfonyl)ethanamine
PubChem CID58684887
Molecular FormulaC4H7N3O2S2
Molecular Weight193.25 g/mol
Exact Mass193.00
IUPAC Name2-(1,3,4-thiadiazol-2-ylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)c1nncs1
InChIInChI=1S/C4H7N3O2S2/c5-1-2-11(8,9)4-7-6-3-10-4/h3H,1-2,5H2
InChIKeySARDXAGOWGZDKN-UHFFFAOYSA-N
XLogP-0.73
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfonyl)ethanamine?
The IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfonyl)ethanamine (CID 58684887) is 2-(1,3,4-thiadiazol-2-ylsulfonyl)ethanamine.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-ylsulfonyl)ethanamine?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-ylsulfonyl)ethanamine is NCCS(=O)(=O)c1nncs1.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-ylsulfonyl)ethanamine?
The InChIKey is SARDXAGOWGZDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2S2/c5-1-2-11(8,9)4-7-6-3-10-4/h3H,1-2,5H2.
What are the key properties of 2-(1,3,4-thiadiazol-2-ylsulfonyl)ethanamine?
2-(1,3,4-thiadiazol-2-ylsulfonyl)ethanamine has a molecular weight of 193.25 g/mol, XLogP of -0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-ylsulfonyl)ethanamine is sourced from PubChem (CID 58684887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).