[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate

C17H29NO6S — CID 58283327

IUPAC[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
SMILESCCC1(OC(=O)COC(=O)CCN2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C17H29NO6S/c1-2-17(7-4-3-5-8-17)24-16(20)14-23-15(19)6-9-18-10-12-25(21,22)13-11-18/h2-14H2,1H3
InChIKeyDVOOPRBKSQQJCL-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.31
Rot. Bonds7

About [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate

[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate (PubChem CID 58283327) has the molecular formula C17H29NO6S and a molecular weight of 375.49 g/mol. Its IUPAC name is [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate.

Molecular Properties

Compound Name[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
PubChem CID58283327
Molecular FormulaC17H29NO6S
Molecular Weight375.49 g/mol
Exact Mass375.17
IUPAC Name[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
SMILESCCC1(OC(=O)COC(=O)CCN2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C17H29NO6S/c1-2-17(7-4-3-5-8-17)24-16(20)14-23-15(19)6-9-18-10-12-25(21,22)13-11-18/h2-14H2,1H3
InChIKeyDVOOPRBKSQQJCL-UHFFFAOYSA-N
XLogP1.31
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate 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-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The IUPAC name of [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate (CID 58283327) is [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate.
What is the SMILES notation for [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The canonical SMILES for [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate is CCC1(OC(=O)COC(=O)CCN2CCS(=O)(=O)CC2)CCCCC1.
What is the InChIKey of [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The InChIKey is DVOOPRBKSQQJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO6S/c1-2-17(7-4-3-5-8-17)24-16(20)14-23-15(19)6-9-18-10-12-25(21,22)13-11-18/h2-14H2,1H3.
What are the key properties of [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate has a molecular weight of 375.49 g/mol, XLogP of 1.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate is sourced from PubChem (CID 58283327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).