1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea

C10H11F3N2O2S — CID 102442198

IUPAC1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea
SMILESCN(C)C(=O)N=S(=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2S/c1-15(2)9(16)14-18(17,10(11,12)13)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyKCDXMVZAOHFYKJ-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.71
Rot. Bonds1

About 1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea

1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea (PubChem CID 102442198) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea
PubChem CID102442198
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea
SMILESCN(C)C(=O)N=S(=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2S/c1-15(2)9(16)14-18(17,10(11,12)13)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyKCDXMVZAOHFYKJ-UHFFFAOYSA-N
XLogP2.71
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide
CID 102442189
ethane;trifluoromethylsulfonylbenzene
CID 144556552
2-[benzenesulfonyl(methyl)amino]-2-methylpropanoic acid
CID 62818706
N-[[dichloro(fluoro)methyl]-oxo-phenyl-λ6-sulfanylidene]-1,1,1-trifluoromethanesulfonamide
CID 56590770
N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60762861
N-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide
CID 12033157
1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea
CID 15700483
2-[benzenesulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 62818367
tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane
CID 146029337
carbonofluoridic acid;methylsulfonylbenzene
CID 174721962
[(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane
CID 132548452
(4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane
CID 126835818

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea?
The IUPAC name of 1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea (CID 102442198) is 1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea.
What is the SMILES notation for 1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea?
The canonical SMILES for 1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea is CN(C)C(=O)N=S(=O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea?
The InChIKey is KCDXMVZAOHFYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-15(2)9(16)14-18(17,10(11,12)13)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea?
1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea has a molecular weight of 280.27 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea is sourced from PubChem (CID 102442198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).