1-(1,3-dithiophen-2-ylpropan-2-yl)azetidin-3-one

C14H15NOS2 — CID 54089134

IUPAC1-(1,3-dithiophen-2-ylpropan-2-yl)azetidin-3-one
SMILESO=C1CN(C(Cc2cccs2)Cc2cccs2)C1
InChIInChI=1S/C14H15NOS2/c16-12-9-15(10-12)11(7-13-3-1-5-17-13)8-14-4-2-6-18-14/h1-6,11H,7-10H2
InChIKeyMSPPQXHVEAHVJQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.85
Rot. Bonds5

About 1-(1,3-dithiophen-2-ylpropan-2-yl)azetidin-3-one

1-(1,3-dithiophen-2-ylpropan-2-yl)azetidin-3-one (PubChem CID 54089134) has the molecular formula C14H15NOS2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(1,3-dithiophen-2-ylpropan-2-yl)azetidin-3-one.

Molecular Properties

Compound Name1-(1,3-dithiophen-2-ylpropan-2-yl)azetidin-3-one
PubChem CID54089134
Molecular FormulaC14H15NOS2
Molecular Weight277.41 g/mol
Exact Mass277.06
IUPAC Name1-(1,3-dithiophen-2-ylpropan-2-yl)azetidin-3-one
SMILESO=C1CN(C(Cc2cccs2)Cc2cccs2)C1
InChIInChI=1S/C14H15NOS2/c16-12-9-15(10-12)11(7-13-3-1-5-17-13)8-14-4-2-6-18-14/h1-6,11H,7-10H2
InChIKeyMSPPQXHVEAHVJQ-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(2-chloro-3-ethylpentyl)thiophene
CID 63520573
2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dithiophen-2-ylpropan-2-yl)azetidin-3-one?
The IUPAC name of 1-(1,3-dithiophen-2-ylpropan-2-yl)azetidin-3-one (CID 54089134) is 1-(1,3-dithiophen-2-ylpropan-2-yl)azetidin-3-one.
What is the SMILES notation for 1-(1,3-dithiophen-2-ylpropan-2-yl)azetidin-3-one?
The canonical SMILES for 1-(1,3-dithiophen-2-ylpropan-2-yl)azetidin-3-one is O=C1CN(C(Cc2cccs2)Cc2cccs2)C1.
What is the InChIKey of 1-(1,3-dithiophen-2-ylpropan-2-yl)azetidin-3-one?
The InChIKey is MSPPQXHVEAHVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS2/c16-12-9-15(10-12)11(7-13-3-1-5-17-13)8-14-4-2-6-18-14/h1-6,11H,7-10H2.
What are the key properties of 1-(1,3-dithiophen-2-ylpropan-2-yl)azetidin-3-one?
1-(1,3-dithiophen-2-ylpropan-2-yl)azetidin-3-one has a molecular weight of 277.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dithiophen-2-ylpropan-2-yl)azetidin-3-one is sourced from PubChem (CID 54089134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).