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

C11H18F3NO2S — CID 55158734

IUPAC1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine
SMILESO=S1(=O)CCC(NC2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C11H18F3NO2S/c12-11(13,14)8-2-1-3-9(6-8)15-10-4-5-18(16,17)7-10/h8-10,15H,1-7H2
InChIKeyFREUJDWZCSEIPX-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.88
Rot. Bonds2

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

1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine (PubChem CID 55158734) has the molecular formula C11H18F3NO2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine
PubChem CID55158734
Molecular FormulaC11H18F3NO2S
Molecular Weight285.33 g/mol
Exact Mass285.10
IUPAC Name1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine
SMILESO=S1(=O)CCC(NC2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C11H18F3NO2S/c12-11(13,14)8-2-1-3-9(6-8)15-10-4-5-18(16,17)7-10/h8-10,15H,1-7H2
InChIKeyFREUJDWZCSEIPX-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

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

(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
3-[(4,4-difluorocyclohexyl)methylsulfonyl]-N-methylpropan-1-amine
CID 70652457
(S)-2-(3-((3,3,3-Trifluoropropyl)sulfonyl)propyl)pyrrolidine
CID 117927771
(S)-2-(3-((4,4,4-Trifluorobutyl)sulfonyl)propyl)pyrrolidine
CID 117928012
(R)-2-(3-((3,3,3-Trifluoropropyl)sulfonyl)propyl)pyrrolidine
CID 117928056
(S)-2-(3-((5,5,5-Trifluoropentyl)sulfonyl)propyl)pyrrolidine
CID 117928103
(R)-2-(3-((4,4,4-Trifluorobutyl)sulfonyl)propyl)pyrrolidine
CID 117928151
(2R)-2-[3-(4,4,4-trifluorobutanesulfonyl)propyl]pyrrolidine
CID 123659943
(2S)-2-[3-(5,5,5-trifluoropentanesulfonyl)propyl]pyrrolidine
CID 123853938
2-[3-(3,3,3-Trifluoropropylsulfonyl)propyl]pyrrolidine
CID 123923339
2-Methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
CID 156508692
3-Butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
CID 167269058

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine (CID 55158734) is 1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine is O=S1(=O)CCC(NC2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of 1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
The InChIKey is FREUJDWZCSEIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2S/c12-11(13,14)8-2-1-3-9(6-8)15-10-4-5-18(16,17)7-10/h8-10,15H,1-7H2.
What are the key properties of 1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine?
1,1-dioxo-N-[3-(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-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine is sourced from PubChem (CID 55158734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).