2-(4-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one

C11H19NO4S — CID 117030059

IUPAC2-(4-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1(C)CS(=O)(=O)N(C2CCC(O)CC2)C1=O
InChIInChI=1S/C11H19NO4S/c1-11(2)7-17(15,16)12(10(11)14)8-3-5-9(13)6-4-8/h8-9,13H,3-7H2,1-2H3
InChIKeyIJVDWAGRXXWNGA-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.49
Rot. Bonds1

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

2-(4-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 117030059) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID117030059
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name2-(4-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1(C)CS(=O)(=O)N(C2CCC(O)CC2)C1=O
InChIInChI=1S/C11H19NO4S/c1-11(2)7-17(15,16)12(10(11)14)8-3-5-9(13)6-4-8/h8-9,13H,3-7H2,1-2H3
InChIKeyIJVDWAGRXXWNGA-UHFFFAOYSA-N
XLogP0.49
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-(4-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one (CID 117030059) is 2-(4-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one is CC1(C)CS(=O)(=O)N(C2CCC(O)CC2)C1=O.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is IJVDWAGRXXWNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-11(2)7-17(15,16)12(10(11)14)8-3-5-9(13)6-4-8/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 2-(4-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
2-(4-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 261.34 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 117030059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).