4-(3-aminocyclobutyl)oxy-1,1-dioxothiolan-3-ol

C8H15NO4S — CID 106940395

IUPAC4-(3-aminocyclobutyl)oxy-1,1-dioxothiolan-3-ol
SMILESNC1CC(OC2CS(=O)(=O)CC2O)C1
InChIInChI=1S/C8H15NO4S/c9-5-1-6(2-5)13-8-4-14(11,12)3-7(8)10/h5-8,10H,1-4,9H2
InChIKeyHGPZBQIXZJLPFA-UHFFFAOYSA-N
MW221.28 g/mol
LogP-1.35
Rot. Bonds2

About 4-(3-aminocyclobutyl)oxy-1,1-dioxothiolan-3-ol

4-(3-aminocyclobutyl)oxy-1,1-dioxothiolan-3-ol (PubChem CID 106940395) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-(3-aminocyclobutyl)oxy-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(3-aminocyclobutyl)oxy-1,1-dioxothiolan-3-ol
PubChem CID106940395
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name4-(3-aminocyclobutyl)oxy-1,1-dioxothiolan-3-ol
SMILESNC1CC(OC2CS(=O)(=O)CC2O)C1
InChIInChI=1S/C8H15NO4S/c9-5-1-6(2-5)13-8-4-14(11,12)3-7(8)10/h5-8,10H,1-4,9H2
InChIKeyHGPZBQIXZJLPFA-UHFFFAOYSA-N
XLogP-1.35
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-aminocyclobutyl)oxy-1,1-dioxothiolan-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclobutyl)oxy-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(3-aminocyclobutyl)oxy-1,1-dioxothiolan-3-ol (CID 106940395) is 4-(3-aminocyclobutyl)oxy-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(3-aminocyclobutyl)oxy-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(3-aminocyclobutyl)oxy-1,1-dioxothiolan-3-ol is NC1CC(OC2CS(=O)(=O)CC2O)C1.
What is the InChIKey of 4-(3-aminocyclobutyl)oxy-1,1-dioxothiolan-3-ol?
The InChIKey is HGPZBQIXZJLPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c9-5-1-6(2-5)13-8-4-14(11,12)3-7(8)10/h5-8,10H,1-4,9H2.
What are the key properties of 4-(3-aminocyclobutyl)oxy-1,1-dioxothiolan-3-ol?
4-(3-aminocyclobutyl)oxy-1,1-dioxothiolan-3-ol has a molecular weight of 221.28 g/mol, XLogP of -1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclobutyl)oxy-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 106940395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).