2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide

C11H16N2O2S — CID 66288226

IUPAC2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSCC1CNC1)NCc1ccco1
InChIInChI=1S/C11H16N2O2S/c14-11(8-16-7-9-4-12-5-9)13-6-10-2-1-3-15-10/h1-3,9,12H,4-8H2,(H,13,14)
InChIKeyLJICPJABTGQHIG-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.85
Rot. Bonds6

About 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide

2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 66288226) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID66288226
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSCC1CNC1)NCc1ccco1
InChIInChI=1S/C11H16N2O2S/c14-11(8-16-7-9-4-12-5-9)13-6-10-2-1-3-15-10/h1-3,9,12H,4-8H2,(H,13,14)
InChIKeyLJICPJABTGQHIG-UHFFFAOYSA-N
XLogP0.85
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 66289917
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 66289051
2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 79683092
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 676282
N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087778
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
N-(furan-2-ylmethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 31182177
2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 44510689
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 79607925

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide (CID 66288226) is 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide is O=C(CSCC1CNC1)NCc1ccco1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LJICPJABTGQHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-11(8-16-7-9-4-12-5-9)13-6-10-2-1-3-15-10/h1-3,9,12H,4-8H2,(H,13,14).
What are the key properties of 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 240.33 g/mol, XLogP of 0.85, 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-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 66288226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).