4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine

C12H23NO2S — CID 66472120

IUPAC4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine
SMILESCC1CN(CCC2OCCCO2)CC(C)S1
InChIInChI=1S/C12H23NO2S/c1-10-8-13(9-11(2)16-10)5-4-12-14-6-3-7-15-12/h10-12H,3-9H2,1-2H3
InChIKeyKKKNDGNPEFIGEL-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.97
Rot. Bonds3

About 4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine

4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine (PubChem CID 66472120) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine.

Molecular Properties

Compound Name4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine
PubChem CID66472120
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine
SMILESCC1CN(CCC2OCCCO2)CC(C)S1
InChIInChI=1S/C12H23NO2S/c1-10-8-13(9-11(2)16-10)5-4-12-14-6-3-7-15-12/h10-12H,3-9H2,1-2H3
InChIKeyKKKNDGNPEFIGEL-UHFFFAOYSA-N
XLogP1.97
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine?
The IUPAC name of 4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine (CID 66472120) is 4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine.
What is the SMILES notation for 4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine?
The canonical SMILES for 4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine is CC1CN(CCC2OCCCO2)CC(C)S1.
What is the InChIKey of 4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine?
The InChIKey is KKKNDGNPEFIGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-10-8-13(9-11(2)16-10)5-4-12-14-6-3-7-15-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine?
4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine has a molecular weight of 245.39 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine is sourced from PubChem (CID 66472120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).