4-(2-phenylethylsulfonyl)morpholine

C12H17NO3S — CID 869048

IUPAC4-(2-phenylethylsulfonyl)morpholine
SMILESO=S(=O)(CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C12H17NO3S/c14-17(15,13-7-9-16-10-8-13)11-6-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeySICHTYOVMMDNGF-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.89
Rot. Bonds4

About 4-(2-phenylethylsulfonyl)morpholine

4-(2-phenylethylsulfonyl)morpholine (PubChem CID 869048) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-(2-phenylethylsulfonyl)morpholine.

Molecular Properties

Compound Name4-(2-phenylethylsulfonyl)morpholine
PubChem CID869048
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name4-(2-phenylethylsulfonyl)morpholine
SMILESO=S(=O)(CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C12H17NO3S/c14-17(15,13-7-9-16-10-8-13)11-6-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeySICHTYOVMMDNGF-UHFFFAOYSA-N
XLogP0.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethylsulfonyl)morpholine?
The IUPAC name of 4-(2-phenylethylsulfonyl)morpholine (CID 869048) is 4-(2-phenylethylsulfonyl)morpholine.
What is the SMILES notation for 4-(2-phenylethylsulfonyl)morpholine?
The canonical SMILES for 4-(2-phenylethylsulfonyl)morpholine is O=S(=O)(CCc1ccccc1)N1CCOCC1.
What is the InChIKey of 4-(2-phenylethylsulfonyl)morpholine?
The InChIKey is SICHTYOVMMDNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-17(15,13-7-9-16-10-8-13)11-6-12-4-2-1-3-5-12/h1-5H,6-11H2.
What are the key properties of 4-(2-phenylethylsulfonyl)morpholine?
4-(2-phenylethylsulfonyl)morpholine has a molecular weight of 255.34 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethylsulfonyl)morpholine is sourced from PubChem (CID 869048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).