1-(1-methylsulfonylazetidine-3-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

C10H14F3N3O4S — CID 166254400

IUPAC1-(1-methylsulfonylazetidine-3-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCS(=O)(=O)N1CC(C(=O)N2CC(=O)N(CC(F)(F)F)C2)C1
InChIInChI=1S/C10H14F3N3O4S/c1-21(19,20)16-2-7(3-16)9(18)14-4-8(17)15(6-14)5-10(11,12)13/h7H,2-6H2,1H3
InChIKeyMUGXDDDJIIZEHS-UHFFFAOYSA-N
MW329.30 g/mol
LogP-0.93
Rot. Bonds3

About 1-(1-methylsulfonylazetidine-3-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

1-(1-methylsulfonylazetidine-3-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 166254400) has the molecular formula C10H14F3N3O4S and a molecular weight of 329.30 g/mol. Its IUPAC name is 1-(1-methylsulfonylazetidine-3-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-(1-methylsulfonylazetidine-3-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID166254400
Molecular FormulaC10H14F3N3O4S
Molecular Weight329.30 g/mol
Exact Mass329.07
IUPAC Name1-(1-methylsulfonylazetidine-3-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCS(=O)(=O)N1CC(C(=O)N2CC(=O)N(CC(F)(F)F)C2)C1
InChIInChI=1S/C10H14F3N3O4S/c1-21(19,20)16-2-7(3-16)9(18)14-4-8(17)15(6-14)5-10(11,12)13/h7H,2-6H2,1H3
InChIKeyMUGXDDDJIIZEHS-UHFFFAOYSA-N
XLogP-0.93
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-acetyl-1,3-thiazolidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 154795592
4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one
CID 71785545
1-methyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 130742010
4-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperazine-2,6-dione
CID 66083143
5-methyl-1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 122118625
(4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124698826
4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 119403234
3-(4-methylsulfonylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75469540
4-(4-methylsulfonylpiperazine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 42650720
4-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-1,4-diazepan-2-one
CID 62897940
(4S)-4-[(4R)-4-tert-butylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 99808600
(4S)-4-[(2R,3aS,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124731997

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylazetidine-3-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 1-(1-methylsulfonylazetidine-3-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 166254400) is 1-(1-methylsulfonylazetidine-3-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 1-(1-methylsulfonylazetidine-3-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 1-(1-methylsulfonylazetidine-3-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is CS(=O)(=O)N1CC(C(=O)N2CC(=O)N(CC(F)(F)F)C2)C1.
What is the InChIKey of 1-(1-methylsulfonylazetidine-3-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is MUGXDDDJIIZEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O4S/c1-21(19,20)16-2-7(3-16)9(18)14-4-8(17)15(6-14)5-10(11,12)13/h7H,2-6H2,1H3.
What are the key properties of 1-(1-methylsulfonylazetidine-3-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
1-(1-methylsulfonylazetidine-3-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 329.30 g/mol, XLogP of -0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylazetidine-3-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 166254400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).