1-(2,3-dimethylthiomorpholin-4-yl)-2-(1-hydroxycyclohexyl)ethanone

C14H25NO2S — CID 111520531

IUPAC1-(2,3-dimethylthiomorpholin-4-yl)-2-(1-hydroxycyclohexyl)ethanone
SMILESCC1SCCN(C(=O)CC2(O)CCCCC2)C1C
InChIInChI=1S/C14H25NO2S/c1-11-12(2)18-9-8-15(11)13(16)10-14(17)6-4-3-5-7-14/h11-12,17H,3-10H2,1-2H3
InChIKeyAJZXOKIXIWSMLI-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.42
Rot. Bonds2

About 1-(2,3-dimethylthiomorpholin-4-yl)-2-(1-hydroxycyclohexyl)ethanone

1-(2,3-dimethylthiomorpholin-4-yl)-2-(1-hydroxycyclohexyl)ethanone (PubChem CID 111520531) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-(2,3-dimethylthiomorpholin-4-yl)-2-(1-hydroxycyclohexyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylthiomorpholin-4-yl)-2-(1-hydroxycyclohexyl)ethanone
PubChem CID111520531
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name1-(2,3-dimethylthiomorpholin-4-yl)-2-(1-hydroxycyclohexyl)ethanone
SMILESCC1SCCN(C(=O)CC2(O)CCCCC2)C1C
InChIInChI=1S/C14H25NO2S/c1-11-12(2)18-9-8-15(11)13(16)10-14(17)6-4-3-5-7-14/h11-12,17H,3-10H2,1-2H3
InChIKeyAJZXOKIXIWSMLI-UHFFFAOYSA-N
XLogP2.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylthiomorpholin-4-yl)-2-(1-hydroxycyclohexyl)ethanone?
The IUPAC name of 1-(2,3-dimethylthiomorpholin-4-yl)-2-(1-hydroxycyclohexyl)ethanone (CID 111520531) is 1-(2,3-dimethylthiomorpholin-4-yl)-2-(1-hydroxycyclohexyl)ethanone.
What is the SMILES notation for 1-(2,3-dimethylthiomorpholin-4-yl)-2-(1-hydroxycyclohexyl)ethanone?
The canonical SMILES for 1-(2,3-dimethylthiomorpholin-4-yl)-2-(1-hydroxycyclohexyl)ethanone is CC1SCCN(C(=O)CC2(O)CCCCC2)C1C.
What is the InChIKey of 1-(2,3-dimethylthiomorpholin-4-yl)-2-(1-hydroxycyclohexyl)ethanone?
The InChIKey is AJZXOKIXIWSMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-11-12(2)18-9-8-15(11)13(16)10-14(17)6-4-3-5-7-14/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 1-(2,3-dimethylthiomorpholin-4-yl)-2-(1-hydroxycyclohexyl)ethanone?
1-(2,3-dimethylthiomorpholin-4-yl)-2-(1-hydroxycyclohexyl)ethanone has a molecular weight of 271.43 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylthiomorpholin-4-yl)-2-(1-hydroxycyclohexyl)ethanone is sourced from PubChem (CID 111520531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).