4-(1-propan-2-ylsulfonylpiperidin-4-yl)morpholine

C12H24N2O3S — CID 167370971

IUPAC4-(1-propan-2-ylsulfonylpiperidin-4-yl)morpholine
SMILESCC(C)S(=O)(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C12H24N2O3S/c1-11(2)18(15,16)14-5-3-12(4-6-14)13-7-9-17-10-8-13/h11-12H,3-10H2,1-2H3
InChIKeyCUNJSOWMFPFUNZ-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.52
Rot. Bonds3

About 4-(1-propan-2-ylsulfonylpiperidin-4-yl)morpholine

4-(1-propan-2-ylsulfonylpiperidin-4-yl)morpholine (PubChem CID 167370971) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-(1-propan-2-ylsulfonylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(1-propan-2-ylsulfonylpiperidin-4-yl)morpholine
PubChem CID167370971
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name4-(1-propan-2-ylsulfonylpiperidin-4-yl)morpholine
SMILESCC(C)S(=O)(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C12H24N2O3S/c1-11(2)18(15,16)14-5-3-12(4-6-14)13-7-9-17-10-8-13/h11-12H,3-10H2,1-2H3
InChIKeyCUNJSOWMFPFUNZ-UHFFFAOYSA-N
XLogP0.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-ylsulfonylpiperidin-4-yl)morpholine?
The IUPAC name of 4-(1-propan-2-ylsulfonylpiperidin-4-yl)morpholine (CID 167370971) is 4-(1-propan-2-ylsulfonylpiperidin-4-yl)morpholine.
What is the SMILES notation for 4-(1-propan-2-ylsulfonylpiperidin-4-yl)morpholine?
The canonical SMILES for 4-(1-propan-2-ylsulfonylpiperidin-4-yl)morpholine is CC(C)S(=O)(=O)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-(1-propan-2-ylsulfonylpiperidin-4-yl)morpholine?
The InChIKey is CUNJSOWMFPFUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-11(2)18(15,16)14-5-3-12(4-6-14)13-7-9-17-10-8-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-(1-propan-2-ylsulfonylpiperidin-4-yl)morpholine?
4-(1-propan-2-ylsulfonylpiperidin-4-yl)morpholine has a molecular weight of 276.40 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-ylsulfonylpiperidin-4-yl)morpholine is sourced from PubChem (CID 167370971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).