(1-methylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

C13H23NO4S — CID 58283076

IUPAC(1-methylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESCC1(OC(=O)CN2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C13H23NO4S/c1-13(5-3-2-4-6-13)18-12(15)11-14-7-9-19(16,17)10-8-14/h2-11H2,1H3
InChIKeyJZJLJQDFEYHMCO-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.98
Rot. Bonds3

About (1-methylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

(1-methylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (PubChem CID 58283076) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is (1-methylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.

Molecular Properties

Compound Name(1-methylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
PubChem CID58283076
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Name(1-methylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESCC1(OC(=O)CN2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C13H23NO4S/c1-13(5-3-2-4-6-13)18-12(15)11-14-7-9-19(16,17)10-8-14/h2-11H2,1H3
InChIKeyJZJLJQDFEYHMCO-UHFFFAOYSA-N
XLogP0.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The IUPAC name of (1-methylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (CID 58283076) is (1-methylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.
What is the SMILES notation for (1-methylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The canonical SMILES for (1-methylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is CC1(OC(=O)CN2CCS(=O)(=O)CC2)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The InChIKey is JZJLJQDFEYHMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-13(5-3-2-4-6-13)18-12(15)11-14-7-9-19(16,17)10-8-14/h2-11H2,1H3.
What are the key properties of (1-methylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
(1-methylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate has a molecular weight of 289.40 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is sourced from PubChem (CID 58283076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).