3-(1,3,4-thiadiazol-2-ylsulfonyl)propan-1-amine

C5H9N3O2S2 — CID 58684271

IUPAC3-(1,3,4-thiadiazol-2-ylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)c1nncs1
InChIInChI=1S/C5H9N3O2S2/c6-2-1-3-12(9,10)5-8-7-4-11-5/h4H,1-3,6H2
InChIKeyHYGDMZROENGWLQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP-0.34
Rot. Bonds4

About 3-(1,3,4-thiadiazol-2-ylsulfonyl)propan-1-amine

3-(1,3,4-thiadiazol-2-ylsulfonyl)propan-1-amine (PubChem CID 58684271) has the molecular formula C5H9N3O2S2 and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(1,3,4-thiadiazol-2-ylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(1,3,4-thiadiazol-2-ylsulfonyl)propan-1-amine
PubChem CID58684271
Molecular FormulaC5H9N3O2S2
Molecular Weight207.28 g/mol
Exact Mass207.01
IUPAC Name3-(1,3,4-thiadiazol-2-ylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)c1nncs1
InChIInChI=1S/C5H9N3O2S2/c6-2-1-3-12(9,10)5-8-7-4-11-5/h4H,1-3,6H2
InChIKeyHYGDMZROENGWLQ-UHFFFAOYSA-N
XLogP-0.34
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfonyl)propan-1-amine?
The IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfonyl)propan-1-amine (CID 58684271) is 3-(1,3,4-thiadiazol-2-ylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(1,3,4-thiadiazol-2-ylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(1,3,4-thiadiazol-2-ylsulfonyl)propan-1-amine is NCCCS(=O)(=O)c1nncs1.
What is the InChIKey of 3-(1,3,4-thiadiazol-2-ylsulfonyl)propan-1-amine?
The InChIKey is HYGDMZROENGWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S2/c6-2-1-3-12(9,10)5-8-7-4-11-5/h4H,1-3,6H2.
What are the key properties of 3-(1,3,4-thiadiazol-2-ylsulfonyl)propan-1-amine?
3-(1,3,4-thiadiazol-2-ylsulfonyl)propan-1-amine has a molecular weight of 207.28 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-thiadiazol-2-ylsulfonyl)propan-1-amine is sourced from PubChem (CID 58684271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).