1-(azetidin-3-yl)-3-propylsulfonylpropan-1-one

C9H17NO3S — CID 106736571

IUPAC1-(azetidin-3-yl)-3-propylsulfonylpropan-1-one
SMILESCCCS(=O)(=O)CCC(=O)C1CNC1
InChIInChI=1S/C9H17NO3S/c1-2-4-14(12,13)5-3-9(11)8-6-10-7-8/h8,10H,2-7H2,1H3
InChIKeyFQTLXJZUEPBKGP-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.01
Rot. Bonds6

About 1-(azetidin-3-yl)-3-propylsulfonylpropan-1-one

1-(azetidin-3-yl)-3-propylsulfonylpropan-1-one (PubChem CID 106736571) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-propylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-propylsulfonylpropan-1-one
PubChem CID106736571
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name1-(azetidin-3-yl)-3-propylsulfonylpropan-1-one
SMILESCCCS(=O)(=O)CCC(=O)C1CNC1
InChIInChI=1S/C9H17NO3S/c1-2-4-14(12,13)5-3-9(11)8-6-10-7-8/h8,10H,2-7H2,1H3
InChIKeyFQTLXJZUEPBKGP-UHFFFAOYSA-N
XLogP-0.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-propylsulfonylpropan-1-one?
The IUPAC name of 1-(azetidin-3-yl)-3-propylsulfonylpropan-1-one (CID 106736571) is 1-(azetidin-3-yl)-3-propylsulfonylpropan-1-one.
What is the SMILES notation for 1-(azetidin-3-yl)-3-propylsulfonylpropan-1-one?
The canonical SMILES for 1-(azetidin-3-yl)-3-propylsulfonylpropan-1-one is CCCS(=O)(=O)CCC(=O)C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-3-propylsulfonylpropan-1-one?
The InChIKey is FQTLXJZUEPBKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-2-4-14(12,13)5-3-9(11)8-6-10-7-8/h8,10H,2-7H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-3-propylsulfonylpropan-1-one?
1-(azetidin-3-yl)-3-propylsulfonylpropan-1-one has a molecular weight of 219.31 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-propylsulfonylpropan-1-one is sourced from PubChem (CID 106736571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).