2-(3-hydroxycyclobutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C8H13NO4S — CID 104550230

IUPAC2-(3-hydroxycyclobutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(C2CC(O)C2)S1(=O)=O
InChIInChI=1S/C8H13NO4S/c1-8(2)7(11)9(14(8,12)13)5-3-6(10)4-5/h5-6,10H,3-4H2,1-2H3
InChIKeyMYMKTOYANXFEPP-UHFFFAOYSA-N
MW219.26 g/mol
LogP-0.54
Rot. Bonds1

About 2-(3-hydroxycyclobutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-(3-hydroxycyclobutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 104550230) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(3-hydroxycyclobutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-(3-hydroxycyclobutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID104550230
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name2-(3-hydroxycyclobutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(C2CC(O)C2)S1(=O)=O
InChIInChI=1S/C8H13NO4S/c1-8(2)7(11)9(14(8,12)13)5-3-6(10)4-5/h5-6,10H,3-4H2,1-2H3
InChIKeyMYMKTOYANXFEPP-UHFFFAOYSA-N
XLogP-0.54
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-hydroxycyclobutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one 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 2-(3-hydroxycyclobutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-(3-hydroxycyclobutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 104550230) is 2-(3-hydroxycyclobutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-(3-hydroxycyclobutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-(3-hydroxycyclobutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC1(C)C(=O)N(C2CC(O)C2)S1(=O)=O.
What is the InChIKey of 2-(3-hydroxycyclobutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is MYMKTOYANXFEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4S/c1-8(2)7(11)9(14(8,12)13)5-3-6(10)4-5/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 2-(3-hydroxycyclobutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-(3-hydroxycyclobutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 219.26 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxycyclobutyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 104550230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).