1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine

C5H8F3NO2S — CID 63896621

IUPAC1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine
SMILESNC1(C(F)(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)4(9)1-2-12(10,11)3-4/h1-3,9H2
InChIKeyYQCQKIFDQAIGJM-UHFFFAOYSA-N
MW203.18 g/mol
LogP0.06
Rot. Bonds

About 1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine

1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine (PubChem CID 63896621) has the molecular formula C5H8F3NO2S and a molecular weight of 203.18 g/mol. Its IUPAC name is 1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine
PubChem CID63896621
Molecular FormulaC5H8F3NO2S
Molecular Weight203.18 g/mol
Exact Mass203.02
IUPAC Name1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine
SMILESNC1(C(F)(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)4(9)1-2-12(10,11)3-4/h1-3,9H2
InChIKeyYQCQKIFDQAIGJM-UHFFFAOYSA-N
XLogP0.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine?
The IUPAC name of 1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine (CID 63896621) is 1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine is NC1(C(F)(F)F)CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine?
The InChIKey is YQCQKIFDQAIGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2S/c6-5(7,8)4(9)1-2-12(10,11)3-4/h1-3,9H2.
What are the key properties of 1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine?
1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine has a molecular weight of 203.18 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine is sourced from PubChem (CID 63896621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).