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

C11H21NO4S2 — CID 66474333

IUPAC4-[2-(1,3-dioxan-2-yl)ethyl]-3-methylsulfonylthiomorpholine
SMILESCS(=O)(=O)C1CSCCN1CCC1OCCCO1
InChIInChI=1S/C11H21NO4S2/c1-18(13,14)10-9-17-8-5-12(10)4-3-11-15-6-2-7-16-11/h10-11H,2-9H2,1H3
InChIKeyYQYGVJXCUIBSQR-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.56
Rot. Bonds4

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

4-[2-(1,3-dioxan-2-yl)ethyl]-3-methylsulfonylthiomorpholine (PubChem CID 66474333) has the molecular formula C11H21NO4S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-[2-(1,3-dioxan-2-yl)ethyl]-3-methylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-[2-(1,3-dioxan-2-yl)ethyl]-3-methylsulfonylthiomorpholine
PubChem CID66474333
Molecular FormulaC11H21NO4S2
Molecular Weight295.43 g/mol
Exact Mass295.09
IUPAC Name4-[2-(1,3-dioxan-2-yl)ethyl]-3-methylsulfonylthiomorpholine
SMILESCS(=O)(=O)C1CSCCN1CCC1OCCCO1
InChIInChI=1S/C11H21NO4S2/c1-18(13,14)10-9-17-8-5-12(10)4-3-11-15-6-2-7-16-11/h10-11H,2-9H2,1H3
InChIKeyYQYGVJXCUIBSQR-UHFFFAOYSA-N
XLogP0.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dioxan-2-yl)ethyl]-3-methylsulfonylthiomorpholine?
The IUPAC name of 4-[2-(1,3-dioxan-2-yl)ethyl]-3-methylsulfonylthiomorpholine (CID 66474333) is 4-[2-(1,3-dioxan-2-yl)ethyl]-3-methylsulfonylthiomorpholine.
What is the SMILES notation for 4-[2-(1,3-dioxan-2-yl)ethyl]-3-methylsulfonylthiomorpholine?
The canonical SMILES for 4-[2-(1,3-dioxan-2-yl)ethyl]-3-methylsulfonylthiomorpholine is CS(=O)(=O)C1CSCCN1CCC1OCCCO1.
What is the InChIKey of 4-[2-(1,3-dioxan-2-yl)ethyl]-3-methylsulfonylthiomorpholine?
The InChIKey is YQYGVJXCUIBSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S2/c1-18(13,14)10-9-17-8-5-12(10)4-3-11-15-6-2-7-16-11/h10-11H,2-9H2,1H3.
What are the key properties of 4-[2-(1,3-dioxan-2-yl)ethyl]-3-methylsulfonylthiomorpholine?
4-[2-(1,3-dioxan-2-yl)ethyl]-3-methylsulfonylthiomorpholine has a molecular weight of 295.43 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dioxan-2-yl)ethyl]-3-methylsulfonylthiomorpholine is sourced from PubChem (CID 66474333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).