3-(thiomorpholin-4-ylmethyl)oxan-4-one

C10H17NO2S — CID 103057646

IUPAC3-(thiomorpholin-4-ylmethyl)oxan-4-one
SMILESO=C1CCOCC1CN1CCSCC1
InChIInChI=1S/C10H17NO2S/c12-10-1-4-13-8-9(10)7-11-2-5-14-6-3-11/h9H,1-8H2
InChIKeyNYHDSDADQAWPNV-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.64
Rot. Bonds2

About 3-(thiomorpholin-4-ylmethyl)oxan-4-one

3-(thiomorpholin-4-ylmethyl)oxan-4-one (PubChem CID 103057646) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-(thiomorpholin-4-ylmethyl)oxan-4-one.

Molecular Properties

Compound Name3-(thiomorpholin-4-ylmethyl)oxan-4-one
PubChem CID103057646
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name3-(thiomorpholin-4-ylmethyl)oxan-4-one
SMILESO=C1CCOCC1CN1CCSCC1
InChIInChI=1S/C10H17NO2S/c12-10-1-4-13-8-9(10)7-11-2-5-14-6-3-11/h9H,1-8H2
InChIKeyNYHDSDADQAWPNV-UHFFFAOYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-one
CID 103058177
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-4-one
CID 103058077
3-[(4-ethylpiperidin-1-yl)methyl]oxan-4-one
CID 103057909
3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-one
CID 103058042
3-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-one
CID 103057762
2-(thiomorpholin-4-ylmethyl)cyclopentan-1-one
CID 62613350
3-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]oxan-4-one
CID 107228846
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxan-4-one
CID 103058212
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-4-one
CID 103057804
2-[(4-oxooxan-3-yl)methyl]isoindole-1,3-dione
CID 82277834
3-(2-propylsulfonylethyl)oxan-4-one
CID 106727100
(3R)-3-prop-2-enyloxan-4-one
CID 130367594

Frequently Asked Questions

What is the IUPAC name of 3-(thiomorpholin-4-ylmethyl)oxan-4-one?
The IUPAC name of 3-(thiomorpholin-4-ylmethyl)oxan-4-one (CID 103057646) is 3-(thiomorpholin-4-ylmethyl)oxan-4-one.
What is the SMILES notation for 3-(thiomorpholin-4-ylmethyl)oxan-4-one?
The canonical SMILES for 3-(thiomorpholin-4-ylmethyl)oxan-4-one is O=C1CCOCC1CN1CCSCC1.
What is the InChIKey of 3-(thiomorpholin-4-ylmethyl)oxan-4-one?
The InChIKey is NYHDSDADQAWPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c12-10-1-4-13-8-9(10)7-11-2-5-14-6-3-11/h9H,1-8H2.
What are the key properties of 3-(thiomorpholin-4-ylmethyl)oxan-4-one?
3-(thiomorpholin-4-ylmethyl)oxan-4-one has a molecular weight of 215.32 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiomorpholin-4-ylmethyl)oxan-4-one is sourced from PubChem (CID 103057646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).