(1-propan-2-ylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate

C17H31NO5S — CID 58283455

IUPAC(1-propan-2-ylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
SMILESCC(C)C1(OC(=O)COCCN2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C17H31NO5S/c1-15(2)17(6-4-3-5-7-17)23-16(19)14-22-11-8-18-9-12-24(20,21)13-10-18/h15H,3-14H2,1-2H3
InChIKeyUYAINVNLEUWSGL-UHFFFAOYSA-N
MW361.50 g/mol
LogP1.64
Rot. Bonds7

About (1-propan-2-ylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate

(1-propan-2-ylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate (PubChem CID 58283455) has the molecular formula C17H31NO5S and a molecular weight of 361.50 g/mol. Its IUPAC name is (1-propan-2-ylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate.

Molecular Properties

Compound Name(1-propan-2-ylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
PubChem CID58283455
Molecular FormulaC17H31NO5S
Molecular Weight361.50 g/mol
Exact Mass361.19
IUPAC Name(1-propan-2-ylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
SMILESCC(C)C1(OC(=O)COCCN2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C17H31NO5S/c1-15(2)17(6-4-3-5-7-17)23-16(19)14-22-11-8-18-9-12-24(20,21)13-10-18/h15H,3-14H2,1-2H3
InChIKeyUYAINVNLEUWSGL-UHFFFAOYSA-N
XLogP1.64
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.50
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1-propan-2-ylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate with MolForge

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Related Compounds

2-Cyclohexylpropan-2-yl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 58283139
[2-(1-Methylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 58283191
(2-Propan-2-yl-2-adamantyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
CID 58283223
(2-Methyl-2-adamantyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
CID 58283242
(1-Methylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
CID 58283248
(1-Ethylcyclopentyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
CID 58283258
(1-Ethylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
CID 58283324
[2-(1-Ethylcyclohexyl)oxy-2-oxoethyl] 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 58283327
(2-Ethyl-2-adamantyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
CID 58283375
(1-Methylcyclopentyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
CID 58283405
(1-Propan-2-ylcyclopentyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
CID 58283422
[2-(1-Ethylcyclohexyl)oxy-2-oxoethyl] 2-thiomorpholin-4-ylacetate
CID 70799610

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate?
The IUPAC name of (1-propan-2-ylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate (CID 58283455) is (1-propan-2-ylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate.
What is the SMILES notation for (1-propan-2-ylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate?
The canonical SMILES for (1-propan-2-ylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate is CC(C)C1(OC(=O)COCCN2CCS(=O)(=O)CC2)CCCCC1.
What is the InChIKey of (1-propan-2-ylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate?
The InChIKey is UYAINVNLEUWSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO5S/c1-15(2)17(6-4-3-5-7-17)23-16(19)14-22-11-8-18-9-12-24(20,21)13-10-18/h15H,3-14H2,1-2H3.
What are the key properties of (1-propan-2-ylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate?
(1-propan-2-ylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate has a molecular weight of 361.50 g/mol, XLogP of 1.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate is sourced from PubChem (CID 58283455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).