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

C16H27NO6S — CID 58283191

IUPAC[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
SMILESCC1(OC(=O)COC(=O)CCN2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C16H27NO6S/c1-16(6-3-2-4-7-16)23-15(19)13-22-14(18)5-8-17-9-11-24(20,21)12-10-17/h2-13H2,1H3
InChIKeyRMOZBWQLBNOLDK-UHFFFAOYSA-N
MW361.46 g/mol
LogP0.92
Rot. Bonds6

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

[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate (PubChem CID 58283191) has the molecular formula C16H27NO6S and a molecular weight of 361.46 g/mol. Its IUPAC name is [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate.

Molecular Properties

Compound Name[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
PubChem CID58283191
Molecular FormulaC16H27NO6S
Molecular Weight361.46 g/mol
Exact Mass361.16
IUPAC Name[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
SMILESCC1(OC(=O)COC(=O)CCN2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C16H27NO6S/c1-16(6-3-2-4-7-16)23-15(19)13-22-14(18)5-8-17-9-11-24(20,21)12-10-17/h2-13H2,1H3
InChIKeyRMOZBWQLBNOLDK-UHFFFAOYSA-N
XLogP0.92
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The IUPAC name of [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate (CID 58283191) is [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate.
What is the SMILES notation for [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The canonical SMILES for [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate is CC1(OC(=O)COC(=O)CCN2CCS(=O)(=O)CC2)CCCCC1.
What is the InChIKey of [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The InChIKey is RMOZBWQLBNOLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO6S/c1-16(6-3-2-4-7-16)23-15(19)13-22-14(18)5-8-17-9-11-24(20,21)12-10-17/h2-13H2,1H3.
What are the key properties of [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate has a molecular weight of 361.46 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate is sourced from PubChem (CID 58283191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).