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

C11H12F3NO2S — CID 7116118

IUPAC(3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine
SMILESO=S1(=O)CC[C@@H](Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)8-2-1-3-9(6-8)15-10-4-5-18(16,17)7-10/h1-3,6,10,15H,4-5,7H2/t10-/m1/s1
InChIKeyOZAYHWCYJALBAL-SNVBAGLBSA-N
MW279.28 g/mol
LogP2.30
Rot. Bonds2

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

(3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine (PubChem CID 7116118) has the molecular formula C11H12F3NO2S and a molecular weight of 279.28 g/mol. Its IUPAC name is (3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine.

Molecular Properties

Compound Name(3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine
PubChem CID7116118
Molecular FormulaC11H12F3NO2S
Molecular Weight279.28 g/mol
Exact Mass279.05
IUPAC Name(3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine
SMILESO=S1(=O)CC[C@@H](Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)8-2-1-3-9(6-8)15-10-4-5-18(16,17)7-10/h1-3,6,10,15H,4-5,7H2/t10-/m1/s1
InChIKeyOZAYHWCYJALBAL-SNVBAGLBSA-N
XLogP2.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]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

1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511458
4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109214973
3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109026520
3-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 39310298
N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide
CID 24704399
N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511245
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 62975033
N-(1,1-dioxothiolan-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113109725
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiane-3-carboxamide
CID 110860856
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 6601288
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9043709
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-[3-(trifluoromethyl)phenyl]urea
CID 108989832

Frequently Asked Questions

What is the IUPAC name of (3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine?
The IUPAC name of (3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine (CID 7116118) is (3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine.
What is the SMILES notation for (3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine?
The canonical SMILES for (3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine is O=S1(=O)CC[C@@H](Nc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine?
The InChIKey is OZAYHWCYJALBAL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12F3NO2S/c12-11(13,14)8-2-1-3-9(6-8)15-10-4-5-18(16,17)7-10/h1-3,6,10,15H,4-5,7H2/t10-/m1/s1.
What are the key properties of (3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine?
(3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine has a molecular weight of 279.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine is sourced from PubChem (CID 7116118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).