ethyl 2-ethyl-5-(4-methylcyclohexyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate

C15H24N2O4S — CID 161351178

IUPACethyl 2-ethyl-5-(4-methylcyclohexyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
SMILESCCOC(=O)C1=CC(C2CCC(C)CC2)=NS(=O)(=O)N1CC
InChIInChI=1S/C15H24N2O4S/c1-4-17-14(15(18)21-5-2)10-13(16-22(17,19)20)12-8-6-11(3)7-9-12/h10-12H,4-9H2,1-3H3
InChIKeyVNYFJKRYPMLBDO-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.28
Rot. Bonds4

About ethyl 2-ethyl-5-(4-methylcyclohexyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate

ethyl 2-ethyl-5-(4-methylcyclohexyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate (PubChem CID 161351178) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is ethyl 2-ethyl-5-(4-methylcyclohexyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-5-(4-methylcyclohexyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
PubChem CID161351178
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Nameethyl 2-ethyl-5-(4-methylcyclohexyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
SMILESCCOC(=O)C1=CC(C2CCC(C)CC2)=NS(=O)(=O)N1CC
InChIInChI=1S/C15H24N2O4S/c1-4-17-14(15(18)21-5-2)10-13(16-22(17,19)20)12-8-6-11(3)7-9-12/h10-12H,4-9H2,1-3H3
InChIKeyVNYFJKRYPMLBDO-UHFFFAOYSA-N
XLogP2.28
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-5-(4-methylcyclohexyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate?
The IUPAC name of ethyl 2-ethyl-5-(4-methylcyclohexyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate (CID 161351178) is ethyl 2-ethyl-5-(4-methylcyclohexyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-5-(4-methylcyclohexyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate?
The canonical SMILES for ethyl 2-ethyl-5-(4-methylcyclohexyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate is CCOC(=O)C1=CC(C2CCC(C)CC2)=NS(=O)(=O)N1CC.
What is the InChIKey of ethyl 2-ethyl-5-(4-methylcyclohexyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate?
The InChIKey is VNYFJKRYPMLBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-4-17-14(15(18)21-5-2)10-13(16-22(17,19)20)12-8-6-11(3)7-9-12/h10-12H,4-9H2,1-3H3.
What are the key properties of ethyl 2-ethyl-5-(4-methylcyclohexyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate?
ethyl 2-ethyl-5-(4-methylcyclohexyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate has a molecular weight of 328.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-5-(4-methylcyclohexyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate is sourced from PubChem (CID 161351178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).