4-ethylsulfonyl-2-(3-phenylpropyl)morpholine

C15H23NO3S — CID 45186708

IUPAC4-ethylsulfonyl-2-(3-phenylpropyl)morpholine
SMILESCCS(=O)(=O)N1CCOC(CCCc2ccccc2)C1
InChIInChI=1S/C15H23NO3S/c1-2-20(17,18)16-11-12-19-15(13-16)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyKUSHABMVILSLHJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.06
Rot. Bonds6

About 4-ethylsulfonyl-2-(3-phenylpropyl)morpholine

4-ethylsulfonyl-2-(3-phenylpropyl)morpholine (PubChem CID 45186708) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-ethylsulfonyl-2-(3-phenylpropyl)morpholine.

Molecular Properties

Compound Name4-ethylsulfonyl-2-(3-phenylpropyl)morpholine
PubChem CID45186708
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name4-ethylsulfonyl-2-(3-phenylpropyl)morpholine
SMILESCCS(=O)(=O)N1CCOC(CCCc2ccccc2)C1
InChIInChI=1S/C15H23NO3S/c1-2-20(17,18)16-11-12-19-15(13-16)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyKUSHABMVILSLHJ-UHFFFAOYSA-N
XLogP2.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2-(3-phenylpropyl)morpholine?
The IUPAC name of 4-ethylsulfonyl-2-(3-phenylpropyl)morpholine (CID 45186708) is 4-ethylsulfonyl-2-(3-phenylpropyl)morpholine.
What is the SMILES notation for 4-ethylsulfonyl-2-(3-phenylpropyl)morpholine?
The canonical SMILES for 4-ethylsulfonyl-2-(3-phenylpropyl)morpholine is CCS(=O)(=O)N1CCOC(CCCc2ccccc2)C1.
What is the InChIKey of 4-ethylsulfonyl-2-(3-phenylpropyl)morpholine?
The InChIKey is KUSHABMVILSLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-2-20(17,18)16-11-12-19-15(13-16)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3.
What are the key properties of 4-ethylsulfonyl-2-(3-phenylpropyl)morpholine?
4-ethylsulfonyl-2-(3-phenylpropyl)morpholine has a molecular weight of 297.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-2-(3-phenylpropyl)morpholine is sourced from PubChem (CID 45186708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).