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

C10H17NO4S — CID 115681816

IUPAC2-(2-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(C2CCCCC2O)S1(=O)=O
InChIInChI=1S/C10H17NO4S/c1-10(2)9(13)11(16(10,14)15)7-5-3-4-6-8(7)12/h7-8,12H,3-6H2,1-2H3
InChIKeyMEUSEWPETHDXPJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.24
Rot. Bonds1

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

2-(2-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 115681816) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(2-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-(2-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID115681816
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-(2-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(C2CCCCC2O)S1(=O)=O
InChIInChI=1S/C10H17NO4S/c1-10(2)9(13)11(16(10,14)15)7-5-3-4-6-8(7)12/h7-8,12H,3-6H2,1-2H3
InChIKeyMEUSEWPETHDXPJ-UHFFFAOYSA-N
XLogP0.24
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-hydroxycyclohexyl)-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-(2-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-(2-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 115681816) is 2-(2-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-(2-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-(2-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC1(C)C(=O)N(C2CCCCC2O)S1(=O)=O.
What is the InChIKey of 2-(2-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is MEUSEWPETHDXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-10(2)9(13)11(16(10,14)15)7-5-3-4-6-8(7)12/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 2-(2-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-(2-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 247.32 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 115681816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).