N-cyclohexyl-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide

C12H18F3NO3S — CID 131963790

IUPACN-cyclohexyl-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CS(=O)(=O)CC1C(F)(F)F
InChIInChI=1S/C12H18F3NO3S/c13-12(14,15)10-7-20(18,19)6-9(10)11(17)16-8-4-2-1-3-5-8/h8-10H,1-7H2,(H,16,17)
InChIKeyMKOBPLCFBZUVGF-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.66
Rot. Bonds2

About N-cyclohexyl-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide

N-cyclohexyl-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide (PubChem CID 131963790) has the molecular formula C12H18F3NO3S and a molecular weight of 313.34 g/mol. Its IUPAC name is N-cyclohexyl-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide
PubChem CID131963790
Molecular FormulaC12H18F3NO3S
Molecular Weight313.34 g/mol
Exact Mass313.10
IUPAC NameN-cyclohexyl-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CS(=O)(=O)CC1C(F)(F)F
InChIInChI=1S/C12H18F3NO3S/c13-12(14,15)10-7-20(18,19)6-9(10)11(17)16-8-4-2-1-3-5-8/h8-10H,1-7H2,(H,16,17)
InChIKeyMKOBPLCFBZUVGF-UHFFFAOYSA-N
XLogP1.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide?
The IUPAC name of N-cyclohexyl-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide (CID 131963790) is N-cyclohexyl-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide is O=C(NC1CCCCC1)C1CS(=O)(=O)CC1C(F)(F)F.
What is the InChIKey of N-cyclohexyl-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide?
The InChIKey is MKOBPLCFBZUVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3S/c13-12(14,15)10-7-20(18,19)6-9(10)11(17)16-8-4-2-1-3-5-8/h8-10H,1-7H2,(H,16,17).
What are the key properties of N-cyclohexyl-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide?
N-cyclohexyl-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,1-dioxo-4-(trifluoromethyl)thiolane-3-carboxamide is sourced from PubChem (CID 131963790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).