2-(morpholin-3-ylmethyl)-1,1-dioxothiazinan-3-one

C9H16N2O4S — CID 117029994

IUPAC2-(morpholin-3-ylmethyl)-1,1-dioxothiazinan-3-one
SMILESO=C1CCCS(=O)(=O)N1CC1COCCN1
InChIInChI=1S/C9H16N2O4S/c12-9-2-1-5-16(13,14)11(9)6-8-7-15-4-3-10-8/h8,10H,1-7H2
InChIKeyLEDQQKGXZIYFIL-UHFFFAOYSA-N
MW248.30 g/mol
LogP-1.07
Rot. Bonds2

About 2-(morpholin-3-ylmethyl)-1,1-dioxothiazinan-3-one

2-(morpholin-3-ylmethyl)-1,1-dioxothiazinan-3-one (PubChem CID 117029994) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-(morpholin-3-ylmethyl)-1,1-dioxothiazinan-3-one.

Molecular Properties

Compound Name2-(morpholin-3-ylmethyl)-1,1-dioxothiazinan-3-one
PubChem CID117029994
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name2-(morpholin-3-ylmethyl)-1,1-dioxothiazinan-3-one
SMILESO=C1CCCS(=O)(=O)N1CC1COCCN1
InChIInChI=1S/C9H16N2O4S/c12-9-2-1-5-16(13,14)11(9)6-8-7-15-4-3-10-8/h8,10H,1-7H2
InChIKeyLEDQQKGXZIYFIL-UHFFFAOYSA-N
XLogP-1.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(morpholin-3-ylmethyl)-1,1-dioxothiazinan-3-one 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-(morpholin-3-ylmethyl)-1,1-dioxothiazinan-3-one?
The IUPAC name of 2-(morpholin-3-ylmethyl)-1,1-dioxothiazinan-3-one (CID 117029994) is 2-(morpholin-3-ylmethyl)-1,1-dioxothiazinan-3-one.
What is the SMILES notation for 2-(morpholin-3-ylmethyl)-1,1-dioxothiazinan-3-one?
The canonical SMILES for 2-(morpholin-3-ylmethyl)-1,1-dioxothiazinan-3-one is O=C1CCCS(=O)(=O)N1CC1COCCN1.
What is the InChIKey of 2-(morpholin-3-ylmethyl)-1,1-dioxothiazinan-3-one?
The InChIKey is LEDQQKGXZIYFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c12-9-2-1-5-16(13,14)11(9)6-8-7-15-4-3-10-8/h8,10H,1-7H2.
What are the key properties of 2-(morpholin-3-ylmethyl)-1,1-dioxothiazinan-3-one?
2-(morpholin-3-ylmethyl)-1,1-dioxothiazinan-3-one has a molecular weight of 248.30 g/mol, XLogP of -1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-3-ylmethyl)-1,1-dioxothiazinan-3-one is sourced from PubChem (CID 117029994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).