2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethylpentan-1-amine

C11H24N2O2S — CID 43581310

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethylpentan-1-amine
SMILESCCC(CC)C(CN)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-3-10(4-2)11(9-12)13-5-7-16(14,15)8-6-13/h10-11H,3-9,12H2,1-2H3
InChIKeyDYLYDESDXIXSGJ-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.48
Rot. Bonds5

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethylpentan-1-amine

2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethylpentan-1-amine (PubChem CID 43581310) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethylpentan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethylpentan-1-amine
PubChem CID43581310
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethylpentan-1-amine
SMILESCCC(CC)C(CN)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-3-10(4-2)11(9-12)13-5-7-16(14,15)8-6-13/h10-11H,3-9,12H2,1-2H3
InChIKeyDYLYDESDXIXSGJ-UHFFFAOYSA-N
XLogP0.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethylpentan-1-amine 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-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethylpentan-1-amine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethylpentan-1-amine (CID 43581310) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethylpentan-1-amine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethylpentan-1-amine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethylpentan-1-amine is CCC(CC)C(CN)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethylpentan-1-amine?
The InChIKey is DYLYDESDXIXSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-10(4-2)11(9-12)13-5-7-16(14,15)8-6-13/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethylpentan-1-amine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethylpentan-1-amine has a molecular weight of 248.39 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-ethylpentan-1-amine is sourced from PubChem (CID 43581310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).