1-(azetidin-3-yl)-4-propan-2-ylsulfonylbutan-2-one

C10H19NO3S — CID 106736551

IUPAC1-(azetidin-3-yl)-4-propan-2-ylsulfonylbutan-2-one
SMILESCC(C)S(=O)(=O)CCC(=O)CC1CNC1
InChIInChI=1S/C10H19NO3S/c1-8(2)15(13,14)4-3-10(12)5-9-6-11-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyPHQAAQXZVKBXGP-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.38
Rot. Bonds6

About 1-(azetidin-3-yl)-4-propan-2-ylsulfonylbutan-2-one

1-(azetidin-3-yl)-4-propan-2-ylsulfonylbutan-2-one (PubChem CID 106736551) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-propan-2-ylsulfonylbutan-2-one.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-propan-2-ylsulfonylbutan-2-one
PubChem CID106736551
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name1-(azetidin-3-yl)-4-propan-2-ylsulfonylbutan-2-one
SMILESCC(C)S(=O)(=O)CCC(=O)CC1CNC1
InChIInChI=1S/C10H19NO3S/c1-8(2)15(13,14)4-3-10(12)5-9-6-11-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyPHQAAQXZVKBXGP-UHFFFAOYSA-N
XLogP0.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.38
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)-4-propan-2-ylsulfonylbutan-2-one?
The IUPAC name of 1-(azetidin-3-yl)-4-propan-2-ylsulfonylbutan-2-one (CID 106736551) is 1-(azetidin-3-yl)-4-propan-2-ylsulfonylbutan-2-one.
What is the SMILES notation for 1-(azetidin-3-yl)-4-propan-2-ylsulfonylbutan-2-one?
The canonical SMILES for 1-(azetidin-3-yl)-4-propan-2-ylsulfonylbutan-2-one is CC(C)S(=O)(=O)CCC(=O)CC1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-propan-2-ylsulfonylbutan-2-one?
The InChIKey is PHQAAQXZVKBXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-8(2)15(13,14)4-3-10(12)5-9-6-11-7-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-4-propan-2-ylsulfonylbutan-2-one?
1-(azetidin-3-yl)-4-propan-2-ylsulfonylbutan-2-one has a molecular weight of 233.33 g/mol, XLogP of 0.38, 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)-4-propan-2-ylsulfonylbutan-2-one is sourced from PubChem (CID 106736551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).