3-methyl-1-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione

C12H18F3N3O4S — CID 131703747

IUPAC3-methyl-1-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCN1C(=O)CN(C2CCN(S(=O)(=O)CCC(F)(F)F)CC2)C1=O
InChIInChI=1S/C12H18F3N3O4S/c1-16-10(19)8-18(11(16)20)9-2-5-17(6-3-9)23(21,22)7-4-12(13,14)15/h9H,2-8H2,1H3
InChIKeyXQTUJIXREDGWGG-UHFFFAOYSA-N
MW357.35 g/mol
LogP0.63
Rot. Bonds4

About 3-methyl-1-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione

3-methyl-1-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 131703747) has the molecular formula C12H18F3N3O4S and a molecular weight of 357.35 g/mol. Its IUPAC name is 3-methyl-1-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID131703747
Molecular FormulaC12H18F3N3O4S
Molecular Weight357.35 g/mol
Exact Mass357.10
IUPAC Name3-methyl-1-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCN1C(=O)CN(C2CCN(S(=O)(=O)CCC(F)(F)F)CC2)C1=O
InChIInChI=1S/C12H18F3N3O4S/c1-16-10(19)8-18(11(16)20)9-2-5-17(6-3-9)23(21,22)7-4-12(13,14)15/h9H,2-8H2,1H3
InChIKeyXQTUJIXREDGWGG-UHFFFAOYSA-N
XLogP0.63
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-methylimidazolidine-2,4-dione
CID 131703748
4,4-diethyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
CID 134225287
1-(1-but-2-enoylpiperidin-4-yl)-3-methylimidazolidine-2,4-dione
CID 171137180
1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 113083115
7-(2-methylphenyl)-4-(3,3,3-trifluoropropylsulfonyl)-1,4-thiazepane
CID 90631545
4-(1-methyl-2-oxo-4H-quinazolin-3-yl)piperidine-1-sulfonamide
CID 23627343
1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde
CID 83058258
3-methoxy-6-[1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyridazine
CID 91627548
3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 110710722
3-[5-fluoro-3-oxo-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169310616
1-ethyl-3-(1-propylsulfonylpiperidin-4-yl)-2-(3,3,3-trifluoropropyl)guanidine
CID 111992271
3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione
CID 121157204

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-methyl-1-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 131703747) is 3-methyl-1-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-methyl-1-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-methyl-1-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione is CN1C(=O)CN(C2CCN(S(=O)(=O)CCC(F)(F)F)CC2)C1=O.
What is the InChIKey of 3-methyl-1-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is XQTUJIXREDGWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O4S/c1-16-10(19)8-18(11(16)20)9-2-5-17(6-3-9)23(21,22)7-4-12(13,14)15/h9H,2-8H2,1H3.
What are the key properties of 3-methyl-1-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-methyl-1-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 357.35 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 131703747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).