4-[3-(4-methylpiperidin-1-yl)propylsulfonyl]morpholine

C13H26N2O3S — CID 58990425

IUPAC4-[3-(4-methylpiperidin-1-yl)propylsulfonyl]morpholine
SMILESCC1CCN(CCCS(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H26N2O3S/c1-13-3-6-14(7-4-13)5-2-12-19(16,17)15-8-10-18-11-9-15/h13H,2-12H2,1H3
InChIKeyUXFAJGRUBPFIMZ-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.77
Rot. Bonds5

About 4-[3-(4-methylpiperidin-1-yl)propylsulfonyl]morpholine

4-[3-(4-methylpiperidin-1-yl)propylsulfonyl]morpholine (PubChem CID 58990425) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-[3-(4-methylpiperidin-1-yl)propylsulfonyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-methylpiperidin-1-yl)propylsulfonyl]morpholine
PubChem CID58990425
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name4-[3-(4-methylpiperidin-1-yl)propylsulfonyl]morpholine
SMILESCC1CCN(CCCS(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H26N2O3S/c1-13-3-6-14(7-4-13)5-2-12-19(16,17)15-8-10-18-11-9-15/h13H,2-12H2,1H3
InChIKeyUXFAJGRUBPFIMZ-UHFFFAOYSA-N
XLogP0.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperidin-1-yl)propylsulfonyl]morpholine?
The IUPAC name of 4-[3-(4-methylpiperidin-1-yl)propylsulfonyl]morpholine (CID 58990425) is 4-[3-(4-methylpiperidin-1-yl)propylsulfonyl]morpholine.
What is the SMILES notation for 4-[3-(4-methylpiperidin-1-yl)propylsulfonyl]morpholine?
The canonical SMILES for 4-[3-(4-methylpiperidin-1-yl)propylsulfonyl]morpholine is CC1CCN(CCCS(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 4-[3-(4-methylpiperidin-1-yl)propylsulfonyl]morpholine?
The InChIKey is UXFAJGRUBPFIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-13-3-6-14(7-4-13)5-2-12-19(16,17)15-8-10-18-11-9-15/h13H,2-12H2,1H3.
What are the key properties of 4-[3-(4-methylpiperidin-1-yl)propylsulfonyl]morpholine?
4-[3-(4-methylpiperidin-1-yl)propylsulfonyl]morpholine has a molecular weight of 290.43 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperidin-1-yl)propylsulfonyl]morpholine is sourced from PubChem (CID 58990425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).