4-(azetidin-3-yl)-1-propylsulfonylpentan-3-one

C11H21NO3S — CID 106736961

IUPAC4-(azetidin-3-yl)-1-propylsulfonylpentan-3-one
SMILESCCCS(=O)(=O)CCC(=O)C(C)C1CNC1
InChIInChI=1S/C11H21NO3S/c1-3-5-16(14,15)6-4-11(13)9(2)10-7-12-8-10/h9-10,12H,3-8H2,1-2H3
InChIKeyHNMMMEKJLVVYFL-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.63
Rot. Bonds7

About 4-(azetidin-3-yl)-1-propylsulfonylpentan-3-one

4-(azetidin-3-yl)-1-propylsulfonylpentan-3-one (PubChem CID 106736961) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-1-propylsulfonylpentan-3-one.

Molecular Properties

Compound Name4-(azetidin-3-yl)-1-propylsulfonylpentan-3-one
PubChem CID106736961
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name4-(azetidin-3-yl)-1-propylsulfonylpentan-3-one
SMILESCCCS(=O)(=O)CCC(=O)C(C)C1CNC1
InChIInChI=1S/C11H21NO3S/c1-3-5-16(14,15)6-4-11(13)9(2)10-7-12-8-10/h9-10,12H,3-8H2,1-2H3
InChIKeyHNMMMEKJLVVYFL-UHFFFAOYSA-N
XLogP0.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(Pentylsulfonylmethyl)pyrrolidin-3-yl]ethanone
CID 59066090
1-(Azetidin-3-ylmethylsulfinyl)-4-methylpentan-3-one
CID 144912268
3-(2-Propylsulfonylethyl)piperidin-4-one
CID 106727092
3-(2-Propan-2-ylsulfonylethyl)piperidin-4-one
CID 106727093
3-(2-Tert-butylsulfonylethyl)piperidin-4-one
CID 106727094
1-Piperidin-4-yl-3-propan-2-ylsulfonylpropan-1-one
CID 106736090
3-Ethylsulfonyl-1-piperidin-4-ylpropan-1-one
CID 106736091
3-Tert-butylsulfonyl-1-piperidin-4-ylpropan-1-one
CID 106736092
1-Piperidin-4-yl-3-propylsulfonylpropan-1-one
CID 106736093
6-(Methylamino)-1-propan-2-ylsulfonylhexan-3-one
CID 106736208
1-Ethylsulfonyl-6-(methylamino)hexan-3-one
CID 106736209
1-Tert-butylsulfonyl-6-(methylamino)hexan-3-one
CID 106736210

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-1-propylsulfonylpentan-3-one?
The IUPAC name of 4-(azetidin-3-yl)-1-propylsulfonylpentan-3-one (CID 106736961) is 4-(azetidin-3-yl)-1-propylsulfonylpentan-3-one.
What is the SMILES notation for 4-(azetidin-3-yl)-1-propylsulfonylpentan-3-one?
The canonical SMILES for 4-(azetidin-3-yl)-1-propylsulfonylpentan-3-one is CCCS(=O)(=O)CCC(=O)C(C)C1CNC1.
What is the InChIKey of 4-(azetidin-3-yl)-1-propylsulfonylpentan-3-one?
The InChIKey is HNMMMEKJLVVYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-3-5-16(14,15)6-4-11(13)9(2)10-7-12-8-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 4-(azetidin-3-yl)-1-propylsulfonylpentan-3-one?
4-(azetidin-3-yl)-1-propylsulfonylpentan-3-one has a molecular weight of 247.36 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-1-propylsulfonylpentan-3-one is sourced from PubChem (CID 106736961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).