4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]morpholine

C12H24N2O3S — CID 59862818

IUPAC4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]morpholine
SMILESCC1CCN(S(=O)(=O)CCN2CCOCC2)CC1
InChIInChI=1S/C12H24N2O3S/c1-12-2-4-14(5-3-12)18(15,16)11-8-13-6-9-17-10-7-13/h12H,2-11H2,1H3
InChIKeyNGTBFUXZMVMTBB-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.38
Rot. Bonds4

About 4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]morpholine

4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]morpholine (PubChem CID 59862818) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]morpholine
PubChem CID59862818
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]morpholine
SMILESCC1CCN(S(=O)(=O)CCN2CCOCC2)CC1
InChIInChI=1S/C12H24N2O3S/c1-12-2-4-14(5-3-12)18(15,16)11-8-13-6-9-17-10-7-13/h12H,2-11H2,1H3
InChIKeyNGTBFUXZMVMTBB-UHFFFAOYSA-N
XLogP0.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]morpholine?
The IUPAC name of 4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]morpholine (CID 59862818) is 4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]morpholine.
What is the SMILES notation for 4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]morpholine?
The canonical SMILES for 4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]morpholine is CC1CCN(S(=O)(=O)CCN2CCOCC2)CC1.
What is the InChIKey of 4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]morpholine?
The InChIKey is NGTBFUXZMVMTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-12-2-4-14(5-3-12)18(15,16)11-8-13-6-9-17-10-7-13/h12H,2-11H2,1H3.
What are the key properties of 4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]morpholine?
4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]morpholine has a molecular weight of 276.40 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperidin-1-yl)sulfonylethyl]morpholine is sourced from PubChem (CID 59862818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).