2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine

C17H26N2O3S — CID 84596072

IUPAC2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine
SMILESCC1CN(C2CCN(c3ccccc3S(C)(=O)=O)CC2)CCO1
InChIInChI=1S/C17H26N2O3S/c1-14-13-19(11-12-22-14)15-7-9-18(10-8-15)16-5-3-4-6-17(16)23(2,20)21/h3-6,14-15H,7-13H2,1-2H3
InChIKeySAFSGJWNMCXZOC-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.78
Rot. Bonds3

About 2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine

2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine (PubChem CID 84596072) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine
PubChem CID84596072
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine
SMILESCC1CN(C2CCN(c3ccccc3S(C)(=O)=O)CC2)CCO1
InChIInChI=1S/C17H26N2O3S/c1-14-13-19(11-12-22-14)15-7-9-18(10-8-15)16-5-3-4-6-17(16)23(2,20)21/h3-6,14-15H,7-13H2,1-2H3
InChIKeySAFSGJWNMCXZOC-UHFFFAOYSA-N
XLogP1.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine?
The IUPAC name of 2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine (CID 84596072) is 2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine.
What is the SMILES notation for 2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine?
The canonical SMILES for 2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine is CC1CN(C2CCN(c3ccccc3S(C)(=O)=O)CC2)CCO1.
What is the InChIKey of 2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine?
The InChIKey is SAFSGJWNMCXZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14-13-19(11-12-22-14)15-7-9-18(10-8-15)16-5-3-4-6-17(16)23(2,20)21/h3-6,14-15H,7-13H2,1-2H3.
What are the key properties of 2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine?
2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine has a molecular weight of 338.47 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine is sourced from PubChem (CID 84596072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).