(3-methoxy-1,1-dioxothietan-3-yl)-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone

C16H21NO5S — CID 171353886

IUPAC(3-methoxy-1,1-dioxothietan-3-yl)-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone
SMILESCOC1(C(=O)N2CCO[C@H](c3ccccc3C)C2)CS(=O)(=O)C1
InChIInChI=1S/C16H21NO5S/c1-12-5-3-4-6-13(12)14-9-17(7-8-22-14)15(18)16(21-2)10-23(19,20)11-16/h3-6,14H,7-11H2,1-2H3/t14-/m0/s1
InChIKeyFCBZZDZIHFUDDQ-AWEZNQCLSA-N
MW339.41 g/mol
LogP0.71
Rot. Bonds3

About (3-methoxy-1,1-dioxothietan-3-yl)-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone

(3-methoxy-1,1-dioxothietan-3-yl)-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone (PubChem CID 171353886) has the molecular formula C16H21NO5S and a molecular weight of 339.41 g/mol. Its IUPAC name is (3-methoxy-1,1-dioxothietan-3-yl)-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-1,1-dioxothietan-3-yl)-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone
PubChem CID171353886
Molecular FormulaC16H21NO5S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Name(3-methoxy-1,1-dioxothietan-3-yl)-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone
SMILESCOC1(C(=O)N2CCO[C@H](c3ccccc3C)C2)CS(=O)(=O)C1
InChIInChI=1S/C16H21NO5S/c1-12-5-3-4-6-13(12)14-9-17(7-8-22-14)15(18)16(21-2)10-23(19,20)11-16/h3-6,14H,7-11H2,1-2H3/t14-/m0/s1
InChIKeyFCBZZDZIHFUDDQ-AWEZNQCLSA-N
XLogP0.71
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methoxy-1,1-dioxothietan-3-yl)-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone 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 (3-methoxy-1,1-dioxothietan-3-yl)-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone?
The IUPAC name of (3-methoxy-1,1-dioxothietan-3-yl)-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone (CID 171353886) is (3-methoxy-1,1-dioxothietan-3-yl)-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-methoxy-1,1-dioxothietan-3-yl)-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone?
The canonical SMILES for (3-methoxy-1,1-dioxothietan-3-yl)-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone is COC1(C(=O)N2CCO[C@H](c3ccccc3C)C2)CS(=O)(=O)C1.
What is the InChIKey of (3-methoxy-1,1-dioxothietan-3-yl)-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone?
The InChIKey is FCBZZDZIHFUDDQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21NO5S/c1-12-5-3-4-6-13(12)14-9-17(7-8-22-14)15(18)16(21-2)10-23(19,20)11-16/h3-6,14H,7-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (3-methoxy-1,1-dioxothietan-3-yl)-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone?
(3-methoxy-1,1-dioxothietan-3-yl)-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone has a molecular weight of 339.41 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1,1-dioxothietan-3-yl)-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 171353886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).