1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole

C9H10N4O2S2 — CID 91625242

IUPAC1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole
SMILESO=S(=O)(c1cccs1)N1CC(n2ccnn2)C1
InChIInChI=1S/C9H10N4O2S2/c14-17(15,9-2-1-5-16-9)12-6-8(7-12)13-4-3-10-11-13/h1-5,8H,6-7H2
InChIKeyRSAYIFWGSVOBOZ-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.59
Rot. Bonds3

About 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole

1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole (PubChem CID 91625242) has the molecular formula C9H10N4O2S2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole.

Molecular Properties

Compound Name1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole
PubChem CID91625242
Molecular FormulaC9H10N4O2S2
Molecular Weight270.34 g/mol
Exact Mass270.02
IUPAC Name1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole
SMILESO=S(=O)(c1cccs1)N1CC(n2ccnn2)C1
InChIInChI=1S/C9H10N4O2S2/c14-17(15,9-2-1-5-16-9)12-6-8(7-12)13-4-3-10-11-13/h1-5,8H,6-7H2
InChIKeyRSAYIFWGSVOBOZ-UHFFFAOYSA-N
XLogP0.59
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole?
The IUPAC name of 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole (CID 91625242) is 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole.
What is the SMILES notation for 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole?
The canonical SMILES for 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole is O=S(=O)(c1cccs1)N1CC(n2ccnn2)C1.
What is the InChIKey of 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole?
The InChIKey is RSAYIFWGSVOBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S2/c14-17(15,9-2-1-5-16-9)12-6-8(7-12)13-4-3-10-11-13/h1-5,8H,6-7H2.
What are the key properties of 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole?
1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole has a molecular weight of 270.34 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole is sourced from PubChem (CID 91625242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).