[2-(diethylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

C12H22N2O5S — CID 55701741

IUPAC[2-(diethylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESCCN(CC)C(=O)COC(=O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C12H22N2O5S/c1-3-14(4-2)11(15)10-19-12(16)9-13-5-7-20(17,18)8-6-13/h3-10H2,1-2H3
InChIKeyYQTNNGMORLUQKJ-UHFFFAOYSA-N
MW306.38 g/mol
LogP-0.87
Rot. Bonds6

About [2-(diethylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

[2-(diethylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (PubChem CID 55701741) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
PubChem CID55701741
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name[2-(diethylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESCCN(CC)C(=O)COC(=O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C12H22N2O5S/c1-3-14(4-2)11(15)10-19-12(16)9-13-5-7-20(17,18)8-6-13/h3-10H2,1-2H3
InChIKeyYQTNNGMORLUQKJ-UHFFFAOYSA-N
XLogP-0.87
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(diethylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)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 [2-(diethylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (CID 55701741) is [2-(diethylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is CCN(CC)C(=O)COC(=O)CN1CCS(=O)(=O)CC1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The InChIKey is YQTNNGMORLUQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-3-14(4-2)11(15)10-19-12(16)9-13-5-7-20(17,18)8-6-13/h3-10H2,1-2H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
[2-(diethylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate has a molecular weight of 306.38 g/mol, XLogP of -0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is sourced from PubChem (CID 55701741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).