2-ethyl-4-(2-methylsulfonylethyl)thiomorpholine

C9H19NO2S2 — CID 71869512

IUPAC2-ethyl-4-(2-methylsulfonylethyl)thiomorpholine
SMILESCCC1CN(CCS(C)(=O)=O)CCS1
InChIInChI=1S/C9H19NO2S2/c1-3-9-8-10(4-6-13-9)5-7-14(2,11)12/h9H,3-8H2,1-2H3
InChIKeyYUAFWCMNWYPAIP-UHFFFAOYSA-N
MW237.39 g/mol
LogP0.86
Rot. Bonds4

About 2-ethyl-4-(2-methylsulfonylethyl)thiomorpholine

2-ethyl-4-(2-methylsulfonylethyl)thiomorpholine (PubChem CID 71869512) has the molecular formula C9H19NO2S2 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-ethyl-4-(2-methylsulfonylethyl)thiomorpholine.

Molecular Properties

Compound Name2-ethyl-4-(2-methylsulfonylethyl)thiomorpholine
PubChem CID71869512
Molecular FormulaC9H19NO2S2
Molecular Weight237.39 g/mol
Exact Mass237.09
IUPAC Name2-ethyl-4-(2-methylsulfonylethyl)thiomorpholine
SMILESCCC1CN(CCS(C)(=O)=O)CCS1
InChIInChI=1S/C9H19NO2S2/c1-3-9-8-10(4-6-13-9)5-7-14(2,11)12/h9H,3-8H2,1-2H3
InChIKeyYUAFWCMNWYPAIP-UHFFFAOYSA-N
XLogP0.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-methylsulfonylethyl)thiomorpholine?
The IUPAC name of 2-ethyl-4-(2-methylsulfonylethyl)thiomorpholine (CID 71869512) is 2-ethyl-4-(2-methylsulfonylethyl)thiomorpholine.
What is the SMILES notation for 2-ethyl-4-(2-methylsulfonylethyl)thiomorpholine?
The canonical SMILES for 2-ethyl-4-(2-methylsulfonylethyl)thiomorpholine is CCC1CN(CCS(C)(=O)=O)CCS1.
What is the InChIKey of 2-ethyl-4-(2-methylsulfonylethyl)thiomorpholine?
The InChIKey is YUAFWCMNWYPAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S2/c1-3-9-8-10(4-6-13-9)5-7-14(2,11)12/h9H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-4-(2-methylsulfonylethyl)thiomorpholine?
2-ethyl-4-(2-methylsulfonylethyl)thiomorpholine has a molecular weight of 237.39 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-methylsulfonylethyl)thiomorpholine is sourced from PubChem (CID 71869512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).