1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine

C11H18F3NO2S — CID 63162770

IUPAC1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
SMILESO=S1(=O)CCC(NC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C11H18F3NO2S/c12-11(13,14)8-1-3-9(4-2-8)15-10-5-6-18(16,17)7-10/h8-10,15H,1-7H2
InChIKeyQCXIYIGPUKGFTA-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.88
Rot. Bonds2

About 1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine

1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine (PubChem CID 63162770) has the molecular formula C11H18F3NO2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
PubChem CID63162770
Molecular FormulaC11H18F3NO2S
Molecular Weight285.33 g/mol
Exact Mass285.10
IUPAC Name1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
SMILESO=S1(=O)CCC(NC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C11H18F3NO2S/c12-11(13,14)8-1-3-9(4-2-8)15-10-5-6-18(16,17)7-10/h8-10,15H,1-7H2
InChIKeyQCXIYIGPUKGFTA-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine (CID 63162770) is 1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine is O=S1(=O)CCC(NC2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
The InChIKey is QCXIYIGPUKGFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2S/c12-11(13,14)8-1-3-9(4-2-8)15-10-5-6-18(16,17)7-10/h8-10,15H,1-7H2.
What are the key properties of 1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine has a molecular weight of 285.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine is sourced from PubChem (CID 63162770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).