1-(2-naphthalen-1-ylethylsulfonyl)azetidin-3-one

C15H15NO3S — CID 66827645

IUPAC1-(2-naphthalen-1-ylethylsulfonyl)azetidin-3-one
SMILESO=C1CN(S(=O)(=O)CCc2cccc3ccccc23)C1
InChIInChI=1S/C15H15NO3S/c17-14-10-16(11-14)20(18,19)9-8-13-6-3-5-12-4-1-2-7-15(12)13/h1-7H,8-11H2
InChIKeyWPSCWRLPEHCSJZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.60
Rot. Bonds4

About 1-(2-naphthalen-1-ylethylsulfonyl)azetidin-3-one

1-(2-naphthalen-1-ylethylsulfonyl)azetidin-3-one (PubChem CID 66827645) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-(2-naphthalen-1-ylethylsulfonyl)azetidin-3-one.

Molecular Properties

Compound Name1-(2-naphthalen-1-ylethylsulfonyl)azetidin-3-one
PubChem CID66827645
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name1-(2-naphthalen-1-ylethylsulfonyl)azetidin-3-one
SMILESO=C1CN(S(=O)(=O)CCc2cccc3ccccc23)C1
InChIInChI=1S/C15H15NO3S/c17-14-10-16(11-14)20(18,19)9-8-13-6-3-5-12-4-1-2-7-15(12)13/h1-7H,8-11H2
InChIKeyWPSCWRLPEHCSJZ-UHFFFAOYSA-N
XLogP1.60
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2-naphthalen-1-ylethylsulfonyl)azetidine-3-carbonitrile
CID 70934429
2-[naphthalen-1-ylmethyl(2-sulfoethyl)amino]ethanesulfonic acid
CID 102280055
disodium;2-[naphthalen-1-ylmethyl(2-sulfonatoethyl)amino]ethanesulfonate
CID 102280054
2-[1-(2-naphthalen-1-ylethylsulfonylmethyl)piperidin-4-yl]ethanamine
CID 59424750
5-naphthalen-1-ylpentyl methanesulfonate
CID 19955547
1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene
CID 139748426
4-naphthalen-1-ylsulfonylpiperazine-2,6-dione
CID 114795554
1-pentylnaphthalene;sulfuric acid
CID 172842201
4-(naphthalen-1-ylmethyl)morpholine-2,6-dione
CID 63788360
N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-naphthalen-1-ylacetamide
CID 27377379
3-(2-naphthalen-1-ylethylamino)propane-1-sulfonic acid
CID 87095275
2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881299

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-1-ylethylsulfonyl)azetidin-3-one?
The IUPAC name of 1-(2-naphthalen-1-ylethylsulfonyl)azetidin-3-one (CID 66827645) is 1-(2-naphthalen-1-ylethylsulfonyl)azetidin-3-one.
What is the SMILES notation for 1-(2-naphthalen-1-ylethylsulfonyl)azetidin-3-one?
The canonical SMILES for 1-(2-naphthalen-1-ylethylsulfonyl)azetidin-3-one is O=C1CN(S(=O)(=O)CCc2cccc3ccccc23)C1.
What is the InChIKey of 1-(2-naphthalen-1-ylethylsulfonyl)azetidin-3-one?
The InChIKey is WPSCWRLPEHCSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-14-10-16(11-14)20(18,19)9-8-13-6-3-5-12-4-1-2-7-15(12)13/h1-7H,8-11H2.
What are the key properties of 1-(2-naphthalen-1-ylethylsulfonyl)azetidin-3-one?
1-(2-naphthalen-1-ylethylsulfonyl)azetidin-3-one has a molecular weight of 289.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-1-ylethylsulfonyl)azetidin-3-one is sourced from PubChem (CID 66827645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).