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2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide

C12H18N2O2S — CID 66289051

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CSCC1CNC1)c1ccco1
InChIInChI=1S/C12H18N2O2S/c1-9(11-3-2-4-16-11)14-12(15)8-17-7-10-5-13-6-10/h2-4,9-10,13H,5-8H2,1H3,(H,14,15)
InChIKeyVZKAEQVYNLORJZ-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.41
Rot. Bonds6

About 2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide

2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide (PubChem CID 66289051) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide
PubChem CID66289051
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CSCC1CNC1)c1ccco1
InChIInChI=1S/C12H18N2O2S/c1-9(11-3-2-4-16-11)14-12(15)8-17-7-10-5-13-6-10/h2-4,9-10,13H,5-8H2,1H3,(H,14,15)
InChIKeyVZKAEQVYNLORJZ-UHFFFAOYSA-N
XLogP1.41
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide (CID 66289051) is 2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide is CC(NC(=O)CSCC1CNC1)c1ccco1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide?
The InChIKey is VZKAEQVYNLORJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(11-3-2-4-16-11)14-12(15)8-17-7-10-5-13-6-10/h2-4,9-10,13H,5-8H2,1H3,(H,14,15).
What are the key properties of 2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide?
2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide has a molecular weight of 254.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 66289051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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