azetidin-1-yl-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone

C18H26N2O3S — CID 17447809

IUPACazetidin-1-yl-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC3)CC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-14(2)15-4-6-17(7-5-15)24(22,23)20-12-8-16(9-13-20)18(21)19-10-3-11-19/h4-7,14,16H,3,8-13H2,1-2H3
InChIKeyFNCAZLLSCVDMPR-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.44
Rot. Bonds4

About azetidin-1-yl-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone

azetidin-1-yl-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 17447809) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is azetidin-1-yl-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID17447809
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Nameazetidin-1-yl-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC3)CC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-14(2)15-4-6-17(7-5-15)24(22,23)20-12-8-16(9-13-20)18(21)19-10-3-11-19/h4-7,14,16H,3,8-13H2,1-2H3
InChIKeyFNCAZLLSCVDMPR-UHFFFAOYSA-N
XLogP2.44
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of azetidin-1-yl-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone (CID 17447809) is azetidin-1-yl-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for azetidin-1-yl-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone is CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC3)CC2)cc1.
What is the InChIKey of azetidin-1-yl-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is FNCAZLLSCVDMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-14(2)15-4-6-17(7-5-15)24(22,23)20-12-8-16(9-13-20)18(21)19-10-3-11-19/h4-7,14,16H,3,8-13H2,1-2H3.
What are the key properties of azetidin-1-yl-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone?
azetidin-1-yl-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 350.48 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 17447809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).