3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione

C12H12N2O4S2 — CID 121188121

IUPAC3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1C1CN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C12H12N2O4S2/c15-11-8-4-9(8)12(16)14(11)7-5-13(6-7)20(17,18)10-2-1-3-19-10/h1-3,7-9H,4-6H2
InChIKeyXXRGUSQAVFISTE-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.13
Rot. Bonds3

About 3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 121188121) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID121188121
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Name3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1C1CN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C12H12N2O4S2/c15-11-8-4-9(8)12(16)14(11)7-5-13(6-7)20(17,18)10-2-1-3-19-10/h1-3,7-9H,4-6H2
InChIKeyXXRGUSQAVFISTE-UHFFFAOYSA-N
XLogP0.13
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-4-thiophen-2-ylsulfonylpiperazine
CID 47454442
1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid
CID 25187118
2,6-dimethyl-4-thiophen-2-ylsulfonylmorpholine
CID 2942574
3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100728515
5-(1-thiophen-2-ylsulfonylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 121154557
2-thiophen-2-ylsulfonyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49246031
2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine
CID 42930811
(3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 120766691
1-thiophen-2-ylsulfonylpiperidine
CID 765823
1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid
CID 79311323
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517
2-(1-thiophen-2-ylsulfonylazetidin-3-yl)propanoic acid
CID 116681724

Frequently Asked Questions

What is the IUPAC name of 3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 121188121) is 3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione is O=C1C2CC2C(=O)N1C1CN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of 3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is XXRGUSQAVFISTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c15-11-8-4-9(8)12(16)14(11)7-5-13(6-7)20(17,18)10-2-1-3-19-10/h1-3,7-9H,4-6H2.
What are the key properties of 3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 312.37 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-thiophen-2-ylsulfonylazetidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 121188121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).