4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-amine

C10H20N2O3S — CID 66263915

IUPAC4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-amine
SMILESCC1(CN2CCS(=O)(=O)CC2)COCC1N
InChIInChI=1S/C10H20N2O3S/c1-10(8-15-6-9(10)11)7-12-2-4-16(13,14)5-3-12/h9H,2-8,11H2,1H3
InChIKeyAYOAFMKHEJNBOV-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.92
Rot. Bonds2

About 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-amine

4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-amine (PubChem CID 66263915) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-amine
PubChem CID66263915
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-amine
SMILESCC1(CN2CCS(=O)(=O)CC2)COCC1N
InChIInChI=1S/C10H20N2O3S/c1-10(8-15-6-9(10)11)7-12-2-4-16(13,14)5-3-12/h9H,2-8,11H2,1H3
InChIKeyAYOAFMKHEJNBOV-UHFFFAOYSA-N
XLogP-0.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-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 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-amine?
The IUPAC name of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-amine (CID 66263915) is 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-amine.
What is the SMILES notation for 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-amine?
The canonical SMILES for 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-amine is CC1(CN2CCS(=O)(=O)CC2)COCC1N.
What is the InChIKey of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-amine?
The InChIKey is AYOAFMKHEJNBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-10(8-15-6-9(10)11)7-12-2-4-16(13,14)5-3-12/h9H,2-8,11H2,1H3.
What are the key properties of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-amine?
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-amine has a molecular weight of 248.35 g/mol, XLogP of -0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methyloxolan-3-amine is sourced from PubChem (CID 66263915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).