1-(3-cyclohexylsulfonylazetidin-1-yl)-2-methylpropan-1-one

C13H23NO3S — CID 90593934

IUPAC1-(3-cyclohexylsulfonylazetidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C13H23NO3S/c1-10(2)13(15)14-8-12(9-14)18(16,17)11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3
InChIKeyMMVUPHVSRNMEOQ-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.60
Rot. Bonds3

About 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-methylpropan-1-one

1-(3-cyclohexylsulfonylazetidin-1-yl)-2-methylpropan-1-one (PubChem CID 90593934) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-cyclohexylsulfonylazetidin-1-yl)-2-methylpropan-1-one
PubChem CID90593934
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name1-(3-cyclohexylsulfonylazetidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C13H23NO3S/c1-10(2)13(15)14-8-12(9-14)18(16,17)11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3
InChIKeyMMVUPHVSRNMEOQ-UHFFFAOYSA-N
XLogP1.60
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-methylpropan-1-one (CID 90593934) is 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-methylpropan-1-one?
The InChIKey is MMVUPHVSRNMEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c1-10(2)13(15)14-8-12(9-14)18(16,17)11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-methylpropan-1-one?
1-(3-cyclohexylsulfonylazetidin-1-yl)-2-methylpropan-1-one has a molecular weight of 273.40 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylsulfonylazetidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 90593934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).