(4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone

C11H19NO2S — CID 103595318

IUPAC(4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone
SMILESCN1CCSCC1C(=O)C1CCOCC1
InChIInChI=1S/C11H19NO2S/c1-12-4-7-15-8-10(12)11(13)9-2-5-14-6-3-9/h9-10H,2-8H2,1H3
InChIKeyDBIOBKVJMFAOAI-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.03
Rot. Bonds2

About (4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone

(4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone (PubChem CID 103595318) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is (4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone
PubChem CID103595318
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name(4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone
SMILESCN1CCSCC1C(=O)C1CCOCC1
InChIInChI=1S/C11H19NO2S/c1-12-4-7-15-8-10(12)11(13)9-2-5-14-6-3-9/h9-10H,2-8H2,1H3
InChIKeyDBIOBKVJMFAOAI-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone?
The IUPAC name of (4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone (CID 103595318) is (4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone is CN1CCSCC1C(=O)C1CCOCC1.
What is the InChIKey of (4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone?
The InChIKey is DBIOBKVJMFAOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-12-4-7-15-8-10(12)11(13)9-2-5-14-6-3-9/h9-10H,2-8H2,1H3.
What are the key properties of (4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone?
(4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone has a molecular weight of 229.34 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 103595318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).