4-(3-ethylsulfonylprop-2-enyl)morpholine

C9H17NO3S — CID 123509713

IUPAC4-(3-ethylsulfonylprop-2-enyl)morpholine
SMILESCCS(=O)(=O)C=CCN1CCOCC1
InChIInChI=1S/C9H17NO3S/c1-2-14(11,12)9-3-4-10-5-7-13-8-6-10/h3,9H,2,4-8H2,1H3
InChIKeySZRUIYIUYYBMGF-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.27
Rot. Bonds4

About 4-(3-ethylsulfonylprop-2-enyl)morpholine

4-(3-ethylsulfonylprop-2-enyl)morpholine (PubChem CID 123509713) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-(3-ethylsulfonylprop-2-enyl)morpholine.

Molecular Properties

Compound Name4-(3-ethylsulfonylprop-2-enyl)morpholine
PubChem CID123509713
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name4-(3-ethylsulfonylprop-2-enyl)morpholine
SMILESCCS(=O)(=O)C=CCN1CCOCC1
InChIInChI=1S/C9H17NO3S/c1-2-14(11,12)9-3-4-10-5-7-13-8-6-10/h3,9H,2,4-8H2,1H3
InChIKeySZRUIYIUYYBMGF-UHFFFAOYSA-N
XLogP0.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylsulfonylprop-2-enyl)morpholine?
The IUPAC name of 4-(3-ethylsulfonylprop-2-enyl)morpholine (CID 123509713) is 4-(3-ethylsulfonylprop-2-enyl)morpholine.
What is the SMILES notation for 4-(3-ethylsulfonylprop-2-enyl)morpholine?
The canonical SMILES for 4-(3-ethylsulfonylprop-2-enyl)morpholine is CCS(=O)(=O)C=CCN1CCOCC1.
What is the InChIKey of 4-(3-ethylsulfonylprop-2-enyl)morpholine?
The InChIKey is SZRUIYIUYYBMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-2-14(11,12)9-3-4-10-5-7-13-8-6-10/h3,9H,2,4-8H2,1H3.
What are the key properties of 4-(3-ethylsulfonylprop-2-enyl)morpholine?
4-(3-ethylsulfonylprop-2-enyl)morpholine has a molecular weight of 219.31 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfonylprop-2-enyl)morpholine is sourced from PubChem (CID 123509713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).