1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methyl-3-(2,2,2-trifluoroethyl)azetidine

C12H16F3NO3S — CID 154737975

IUPAC1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methyl-3-(2,2,2-trifluoroethyl)azetidine
SMILESCc1cc(S(=O)(=O)N2CC(C)(CC(F)(F)F)C2)c(C)o1
InChIInChI=1S/C12H16F3NO3S/c1-8-4-10(9(2)19-8)20(17,18)16-6-11(3,7-16)5-12(13,14)15/h4H,5-7H2,1-3H3
InChIKeyWWNSQKZSDHOQGS-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.86
Rot. Bonds3

About 1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methyl-3-(2,2,2-trifluoroethyl)azetidine

1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methyl-3-(2,2,2-trifluoroethyl)azetidine (PubChem CID 154737975) has the molecular formula C12H16F3NO3S and a molecular weight of 311.33 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methyl-3-(2,2,2-trifluoroethyl)azetidine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methyl-3-(2,2,2-trifluoroethyl)azetidine
PubChem CID154737975
Molecular FormulaC12H16F3NO3S
Molecular Weight311.33 g/mol
Exact Mass311.08
IUPAC Name1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methyl-3-(2,2,2-trifluoroethyl)azetidine
SMILESCc1cc(S(=O)(=O)N2CC(C)(CC(F)(F)F)C2)c(C)o1
InChIInChI=1S/C12H16F3NO3S/c1-8-4-10(9(2)19-8)20(17,18)16-6-11(3,7-16)5-12(13,14)15/h4H,5-7H2,1-3H3
InChIKeyWWNSQKZSDHOQGS-UHFFFAOYSA-N
XLogP2.86
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide
CID 146075410
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine
CID 86784647
1-(2,5-dimethylfuran-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
CID 166288038
(5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane
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3-[4-(2,5-dimethylfuran-3-yl)sulfonylpiperazin-1-yl]phenol
CID 75521933
1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine
CID 120725851
[(3R,4R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
CID 129399758
[1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 102553899
4-(2,5-dimethylfuran-3-yl)sulfonyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 167813407
4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine
CID 39733408
3-(2,5-dimethylfuran-3-yl)sulfonyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene;2,2,2-trifluoroacetic acid
CID 66787217
6-(2,5-dimethylfuran-3-yl)sulfonyl-6-azaspiro[4.5]decane-8-carboxylic acid
CID 167938650

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methyl-3-(2,2,2-trifluoroethyl)azetidine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methyl-3-(2,2,2-trifluoroethyl)azetidine (CID 154737975) is 1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methyl-3-(2,2,2-trifluoroethyl)azetidine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methyl-3-(2,2,2-trifluoroethyl)azetidine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methyl-3-(2,2,2-trifluoroethyl)azetidine is Cc1cc(S(=O)(=O)N2CC(C)(CC(F)(F)F)C2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methyl-3-(2,2,2-trifluoroethyl)azetidine?
The InChIKey is WWNSQKZSDHOQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3S/c1-8-4-10(9(2)19-8)20(17,18)16-6-11(3,7-16)5-12(13,14)15/h4H,5-7H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methyl-3-(2,2,2-trifluoroethyl)azetidine?
1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methyl-3-(2,2,2-trifluoroethyl)azetidine has a molecular weight of 311.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methyl-3-(2,2,2-trifluoroethyl)azetidine is sourced from PubChem (CID 154737975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).