1,1-dioxo-4-(trifluoromethyl)-N-[(1,2,2-trimethylcyclopropyl)methyl]thiolane-3-carboxamide

C13H20F3NO3S — CID 166251447

IUPAC1,1-dioxo-4-(trifluoromethyl)-N-[(1,2,2-trimethylcyclopropyl)methyl]thiolane-3-carboxamide
SMILESCC1(C)CC1(C)CNC(=O)C1CS(=O)(=O)CC1C(F)(F)F
InChIInChI=1S/C13H20F3NO3S/c1-11(2)6-12(11,3)7-17-10(18)8-4-21(19,20)5-9(8)13(14,15)16/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKeyOMDGDIXQJIBBMZ-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.76
Rot. Bonds3

About 1,1-dioxo-4-(trifluoromethyl)-N-[(1,2,2-trimethylcyclopropyl)methyl]thiolane-3-carboxamide

1,1-dioxo-4-(trifluoromethyl)-N-[(1,2,2-trimethylcyclopropyl)methyl]thiolane-3-carboxamide (PubChem CID 166251447) has the molecular formula C13H20F3NO3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 1,1-dioxo-4-(trifluoromethyl)-N-[(1,2,2-trimethylcyclopropyl)methyl]thiolane-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-4-(trifluoromethyl)-N-[(1,2,2-trimethylcyclopropyl)methyl]thiolane-3-carboxamide
PubChem CID166251447
Molecular FormulaC13H20F3NO3S
Molecular Weight327.37 g/mol
Exact Mass327.11
IUPAC Name1,1-dioxo-4-(trifluoromethyl)-N-[(1,2,2-trimethylcyclopropyl)methyl]thiolane-3-carboxamide
SMILESCC1(C)CC1(C)CNC(=O)C1CS(=O)(=O)CC1C(F)(F)F
InChIInChI=1S/C13H20F3NO3S/c1-11(2)6-12(11,3)7-17-10(18)8-4-21(19,20)5-9(8)13(14,15)16/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKeyOMDGDIXQJIBBMZ-UHFFFAOYSA-N
XLogP1.76
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)-1lambda6-thiolane-3-carboxamide
CID 126840781
(1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide
CID 164634854
N-(3,3-dimethylbutyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 53330516
N-(3-amino-2,2-difluoropropyl)-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide;hydrochloride
CID 120411431
N-(3-amino-2,2-difluoropropyl)-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide
CID 120411432
N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide
CID 126840457
N-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide
CID 126840780
N-cyclohexyl-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide
CID 131963790
N-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide
CID 138017175
1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide
CID 166260815
2-methylsulfonyl-N-[[(3R,4S)-4-methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methyl]acetamide
CID 167904582
N-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-propan-2-ylbutanamide
CID 58124181

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-(trifluoromethyl)-N-[(1,2,2-trimethylcyclopropyl)methyl]thiolane-3-carboxamide?
The IUPAC name of 1,1-dioxo-4-(trifluoromethyl)-N-[(1,2,2-trimethylcyclopropyl)methyl]thiolane-3-carboxamide (CID 166251447) is 1,1-dioxo-4-(trifluoromethyl)-N-[(1,2,2-trimethylcyclopropyl)methyl]thiolane-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-4-(trifluoromethyl)-N-[(1,2,2-trimethylcyclopropyl)methyl]thiolane-3-carboxamide?
The canonical SMILES for 1,1-dioxo-4-(trifluoromethyl)-N-[(1,2,2-trimethylcyclopropyl)methyl]thiolane-3-carboxamide is CC1(C)CC1(C)CNC(=O)C1CS(=O)(=O)CC1C(F)(F)F.
What is the InChIKey of 1,1-dioxo-4-(trifluoromethyl)-N-[(1,2,2-trimethylcyclopropyl)methyl]thiolane-3-carboxamide?
The InChIKey is OMDGDIXQJIBBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO3S/c1-11(2)6-12(11,3)7-17-10(18)8-4-21(19,20)5-9(8)13(14,15)16/h8-9H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 1,1-dioxo-4-(trifluoromethyl)-N-[(1,2,2-trimethylcyclopropyl)methyl]thiolane-3-carboxamide?
1,1-dioxo-4-(trifluoromethyl)-N-[(1,2,2-trimethylcyclopropyl)methyl]thiolane-3-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-(trifluoromethyl)-N-[(1,2,2-trimethylcyclopropyl)methyl]thiolane-3-carboxamide is sourced from PubChem (CID 166251447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).