2-(3-methoxy-4-methylsulfonylphenyl)morpholine

C12H17NO4S — CID 117431197

IUPAC2-(3-methoxy-4-methylsulfonylphenyl)morpholine
SMILESCOc1cc(C2CNCCO2)ccc1S(C)(=O)=O
InChIInChI=1S/C12H17NO4S/c1-16-10-7-9(11-8-13-5-6-17-11)3-4-12(10)18(2,14)15/h3-4,7,11,13H,5-6,8H2,1-2H3
InChIKeyHRBLOCPDLDCOFI-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.76
Rot. Bonds3

About 2-(3-methoxy-4-methylsulfonylphenyl)morpholine

2-(3-methoxy-4-methylsulfonylphenyl)morpholine (PubChem CID 117431197) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylsulfonylphenyl)morpholine.

Molecular Properties

Compound Name2-(3-methoxy-4-methylsulfonylphenyl)morpholine
PubChem CID117431197
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name2-(3-methoxy-4-methylsulfonylphenyl)morpholine
SMILESCOc1cc(C2CNCCO2)ccc1S(C)(=O)=O
InChIInChI=1S/C12H17NO4S/c1-16-10-7-9(11-8-13-5-6-17-11)3-4-12(10)18(2,14)15/h3-4,7,11,13H,5-6,8H2,1-2H3
InChIKeyHRBLOCPDLDCOFI-UHFFFAOYSA-N
XLogP0.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylsulfonylphenyl)morpholine?
The IUPAC name of 2-(3-methoxy-4-methylsulfonylphenyl)morpholine (CID 117431197) is 2-(3-methoxy-4-methylsulfonylphenyl)morpholine.
What is the SMILES notation for 2-(3-methoxy-4-methylsulfonylphenyl)morpholine?
The canonical SMILES for 2-(3-methoxy-4-methylsulfonylphenyl)morpholine is COc1cc(C2CNCCO2)ccc1S(C)(=O)=O.
What is the InChIKey of 2-(3-methoxy-4-methylsulfonylphenyl)morpholine?
The InChIKey is HRBLOCPDLDCOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-16-10-7-9(11-8-13-5-6-17-11)3-4-12(10)18(2,14)15/h3-4,7,11,13H,5-6,8H2,1-2H3.
What are the key properties of 2-(3-methoxy-4-methylsulfonylphenyl)morpholine?
2-(3-methoxy-4-methylsulfonylphenyl)morpholine has a molecular weight of 271.34 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylsulfonylphenyl)morpholine is sourced from PubChem (CID 117431197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).