2-ethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine

C13H26N2O3S — CID 84586988

IUPAC2-ethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine
SMILESCCC1CN(CC2CCCN(S(C)(=O)=O)C2)CCO1
InChIInChI=1S/C13H26N2O3S/c1-3-13-11-14(7-8-18-13)9-12-5-4-6-15(10-12)19(2,16)17/h12-13H,3-11H2,1-2H3
InChIKeyHITVGYKIGFJMSN-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.77
Rot. Bonds4

About 2-ethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine

2-ethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine (PubChem CID 84586988) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-ethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine.

Molecular Properties

Compound Name2-ethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine
PubChem CID84586988
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name2-ethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine
SMILESCCC1CN(CC2CCCN(S(C)(=O)=O)C2)CCO1
InChIInChI=1S/C13H26N2O3S/c1-3-13-11-14(7-8-18-13)9-12-5-4-6-15(10-12)19(2,16)17/h12-13H,3-11H2,1-2H3
InChIKeyHITVGYKIGFJMSN-UHFFFAOYSA-N
XLogP0.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(Methylsulfonyl)piperidin-4-yl]morpholine
CID 1121787
N-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]methanesulfonamide
CID 72001516
4-(3,5-Dimethylpiperidin-1-yl)sulfonyl-2,2,6-trimethylmorpholine
CID 71885008
4-[3-(4-Methylpiperidin-1-yl)propylsulfonyl]morpholine
CID 58990425
4-[2-(4-Methylpiperidin-1-yl)sulfonylethyl]morpholine
CID 59862818
2-(2-Methylpropyl)-4-methylsulfonylmorpholine
CID 71221078
9-Tert-butyl-4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 126502697
4-Ethyl-2-[2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propyl]morpholine
CID 132160658
1-[(5-Methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine
CID 155367093
N-methyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propane-2-sulfonamide
CID 167136596
N-methyl-N-[[4-(4-methylpentyl)morpholin-2-yl]methyl]propane-2-sulfonamide
CID 170639358
4-[1-(2-Methylpropyl)piperidin-4-yl]sulfonylmorpholine
CID 175259584

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine?
The IUPAC name of 2-ethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine (CID 84586988) is 2-ethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine.
What is the SMILES notation for 2-ethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine?
The canonical SMILES for 2-ethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine is CCC1CN(CC2CCCN(S(C)(=O)=O)C2)CCO1.
What is the InChIKey of 2-ethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine?
The InChIKey is HITVGYKIGFJMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-3-13-11-14(7-8-18-13)9-12-5-4-6-15(10-12)19(2,16)17/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine?
2-ethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine has a molecular weight of 290.43 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine is sourced from PubChem (CID 84586988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).