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

C14H22F3NO3S — CID 126840781

IUPAC1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)thiolane-3-carboxamide
SMILESCC1(C)C(CNC(=O)C2CS(=O)(=O)CC2C(F)(F)F)C1(C)C
InChIInChI=1S/C14H22F3NO3S/c1-12(2)10(13(12,3)4)5-18-11(19)8-6-22(20,21)7-9(8)14(15,16)17/h8-10H,5-7H2,1-4H3,(H,18,19)
InChIKeyANMVITYVWIHKED-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.01
Rot. Bonds3

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

1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)thiolane-3-carboxamide (PubChem CID 126840781) has the molecular formula C14H22F3NO3S and a molecular weight of 341.40 g/mol. Its IUPAC name is 1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)thiolane-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)thiolane-3-carboxamide
PubChem CID126840781
Molecular FormulaC14H22F3NO3S
Molecular Weight341.40 g/mol
Exact Mass341.13
IUPAC Name1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)thiolane-3-carboxamide
SMILESCC1(C)C(CNC(=O)C2CS(=O)(=O)CC2C(F)(F)F)C1(C)C
InChIInChI=1S/C14H22F3NO3S/c1-12(2)10(13(12,3)4)5-18-11(19)8-6-22(20,21)7-9(8)14(15,16)17/h8-10H,5-7H2,1-4H3,(H,18,19)
InChIKeyANMVITYVWIHKED-UHFFFAOYSA-N
XLogP2.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)thiolane-3-carboxamide with MolForge

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Related Compounds

(1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide
CID 164634854
N-(3-amino-2,2-difluoropropyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 113577665
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-(4-methylpentan-2-yl)-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide
CID 126840780
N-[(2,2-difluorocyclopentyl)methyl]-1-methylsulfonylcyclopropane-1-carboxamide
CID 138017175
1,1-dioxo-4-(trifluoromethyl)-N-[(1,2,2-trimethylcyclopropyl)methyl]thiolane-3-carboxamide
CID 166251447
1-(2,2-difluoroethyl)-N-[(1-ethylsulfonylcyclopropyl)methyl]cyclobutane-1-carboxamide
CID 166260815
N-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-propan-2-ylbutanamide
CID 58124181
ethane;N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen
CID 156820040
N-[4-[3-(methylamino)propylsulfonyl]butyl]-1-propan-2-ylcyclopropane-1-carboxamide
CID 156820041
N-[2-[2-(ethylamino)ethylsulfonyl]ethyl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen
CID 156820698

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)thiolane-3-carboxamide?
The IUPAC name of 1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)thiolane-3-carboxamide (CID 126840781) is 1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)thiolane-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)thiolane-3-carboxamide?
The canonical SMILES for 1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)thiolane-3-carboxamide is CC1(C)C(CNC(=O)C2CS(=O)(=O)CC2C(F)(F)F)C1(C)C.
What is the InChIKey of 1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)thiolane-3-carboxamide?
The InChIKey is ANMVITYVWIHKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3S/c1-12(2)10(13(12,3)4)5-18-11(19)8-6-22(20,21)7-9(8)14(15,16)17/h8-10H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)thiolane-3-carboxamide?
1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)thiolane-3-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)thiolane-3-carboxamide is sourced from PubChem (CID 126840781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).