2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine

C12H24N2O3S — CID 54973979

IUPAC2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)CC2CCNCC2)CC(C)O1
InChIInChI=1S/C12H24N2O3S/c1-10-7-14(8-11(2)17-10)18(15,16)9-12-3-5-13-6-4-12/h10-13H,3-9H2,1-2H3
InChIKeyFEXBQLFDEJZJNL-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.43
Rot. Bonds3

About 2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine

2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine (PubChem CID 54973979) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine
PubChem CID54973979
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)CC2CCNCC2)CC(C)O1
InChIInChI=1S/C12H24N2O3S/c1-10-7-14(8-11(2)17-10)18(15,16)9-12-3-5-13-6-4-12/h10-13H,3-9H2,1-2H3
InChIKeyFEXBQLFDEJZJNL-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine (CID 54973979) is 2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine is CC1CN(S(=O)(=O)CC2CCNCC2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine?
The InChIKey is FEXBQLFDEJZJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-10-7-14(8-11(2)17-10)18(15,16)9-12-3-5-13-6-4-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine?
2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine has a molecular weight of 276.40 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine is sourced from PubChem (CID 54973979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).