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

C15H27NO5S — CID 58283258

IUPAC(1-ethylcyclopentyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
SMILESCCC1(OC(=O)COCCN2CCS(=O)(=O)CC2)CCCC1
InChIInChI=1S/C15H27NO5S/c1-2-15(5-3-4-6-15)21-14(17)13-20-10-7-16-8-11-22(18,19)12-9-16/h2-13H2,1H3
InChIKeyUXVBAFZVIMDVFQ-UHFFFAOYSA-N
MW333.45 g/mol
LogP1.00
Rot. Bonds7

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

(1-ethylcyclopentyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate (PubChem CID 58283258) has the molecular formula C15H27NO5S and a molecular weight of 333.45 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
PubChem CID58283258
Molecular FormulaC15H27NO5S
Molecular Weight333.45 g/mol
Exact Mass333.16
IUPAC Name(1-ethylcyclopentyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
SMILESCCC1(OC(=O)COCCN2CCS(=O)(=O)CC2)CCCC1
InChIInChI=1S/C15H27NO5S/c1-2-15(5-3-4-6-15)21-14(17)13-20-10-7-16-8-11-22(18,19)12-9-16/h2-13H2,1H3
InChIKeyUXVBAFZVIMDVFQ-UHFFFAOYSA-N
XLogP1.00
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1-ethylcyclopentyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate 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 (1-ethylcyclopentyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate?
The IUPAC name of (1-ethylcyclopentyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate (CID 58283258) is (1-ethylcyclopentyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate.
What is the SMILES notation for (1-ethylcyclopentyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate?
The canonical SMILES for (1-ethylcyclopentyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate is CCC1(OC(=O)COCCN2CCS(=O)(=O)CC2)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate?
The InChIKey is UXVBAFZVIMDVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5S/c1-2-15(5-3-4-6-15)21-14(17)13-20-10-7-16-8-11-22(18,19)12-9-16/h2-13H2,1H3.
What are the key properties of (1-ethylcyclopentyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate?
(1-ethylcyclopentyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate has a molecular weight of 333.45 g/mol, XLogP of 1.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate is sourced from PubChem (CID 58283258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).