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

C13H23NO4S — CID 58283182

IUPAC(1-ethylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESCCC1(OC(=O)CN2CCS(=O)(=O)CC2)CCCC1
InChIInChI=1S/C13H23NO4S/c1-2-13(5-3-4-6-13)18-12(15)11-14-7-9-19(16,17)10-8-14/h2-11H2,1H3
InChIKeyPRGFNKOSRSZNID-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.98
Rot. Bonds4

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

(1-ethylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (PubChem CID 58283182) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
PubChem CID58283182
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Name(1-ethylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESCCC1(OC(=O)CN2CCS(=O)(=O)CC2)CCCC1
InChIInChI=1S/C13H23NO4S/c1-2-13(5-3-4-6-13)18-12(15)11-14-7-9-19(16,17)10-8-14/h2-11H2,1H3
InChIKeyPRGFNKOSRSZNID-UHFFFAOYSA-N
XLogP0.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The IUPAC name of (1-ethylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (CID 58283182) is (1-ethylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.
What is the SMILES notation for (1-ethylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The canonical SMILES for (1-ethylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is CCC1(OC(=O)CN2CCS(=O)(=O)CC2)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The InChIKey is PRGFNKOSRSZNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-2-13(5-3-4-6-13)18-12(15)11-14-7-9-19(16,17)10-8-14/h2-11H2,1H3.
What are the key properties of (1-ethylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
(1-ethylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate has a molecular weight of 289.40 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is sourced from PubChem (CID 58283182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).