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

C14H25NO4S — CID 58283378

IUPAC(1-ethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESCCC1(OC(=O)CN2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C14H25NO4S/c1-2-14(6-4-3-5-7-14)19-13(16)12-15-8-10-20(17,18)11-9-15/h2-12H2,1H3
InChIKeyIMFXOFQSBLMORB-UHFFFAOYSA-N
MW303.42 g/mol
LogP1.37
Rot. Bonds4

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

(1-ethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (PubChem CID 58283378) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is (1-ethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.

Molecular Properties

Compound Name(1-ethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
PubChem CID58283378
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name(1-ethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESCCC1(OC(=O)CN2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C14H25NO4S/c1-2-14(6-4-3-5-7-14)19-13(16)12-15-8-10-20(17,18)11-9-15/h2-12H2,1H3
InChIKeyIMFXOFQSBLMORB-UHFFFAOYSA-N
XLogP1.37
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-Methylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 58283076
2-Cyclohexylpropan-2-yl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 58283139
(1-Ethylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 58283182
(1-Methylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
CID 58283248
(1-Methylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 58283269
(1-Ethylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
CID 58283324
(1-Propan-2-ylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 58283329
(1-Ethylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 58283363
(1-Methylcyclohexyl) 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 58283411
(1-Methylcyclohexyl) 2-thiomorpholin-4-ylacetate
CID 70799594
(1-Ethylcyclohexyl) 2-thiomorpholin-4-ylacetate
CID 70799597

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The IUPAC name of (1-ethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (CID 58283378) is (1-ethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.
What is the SMILES notation for (1-ethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The canonical SMILES for (1-ethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is CCC1(OC(=O)CN2CCS(=O)(=O)CC2)CCCCC1.
What is the InChIKey of (1-ethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The InChIKey is IMFXOFQSBLMORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-2-14(6-4-3-5-7-14)19-13(16)12-15-8-10-20(17,18)11-9-15/h2-12H2,1H3.
What are the key properties of (1-ethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
(1-ethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate has a molecular weight of 303.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclohexyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is sourced from PubChem (CID 58283378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).