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

C7H12F3NO2S — CID 66206185

IUPACN-ethyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine
SMILESCCNC1(C(F)(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C7H12F3NO2S/c1-2-11-6(7(8,9)10)3-4-14(12,13)5-6/h11H,2-5H2,1H3
InChIKeyWUKHYYHWNHRCSQ-UHFFFAOYSA-N
MW231.24 g/mol
LogP0.72
Rot. Bonds2

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

N-ethyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine (PubChem CID 66206185) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is N-ethyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-ethyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine
PubChem CID66206185
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC NameN-ethyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine
SMILESCCNC1(C(F)(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C7H12F3NO2S/c1-2-11-6(7(8,9)10)3-4-14(12,13)5-6/h11H,2-5H2,1H3
InChIKeyWUKHYYHWNHRCSQ-UHFFFAOYSA-N
XLogP0.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine?
The IUPAC name of N-ethyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine (CID 66206185) is N-ethyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine.
What is the SMILES notation for N-ethyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine?
The canonical SMILES for N-ethyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine is CCNC1(C(F)(F)F)CCS(=O)(=O)C1.
What is the InChIKey of N-ethyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine?
The InChIKey is WUKHYYHWNHRCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c1-2-11-6(7(8,9)10)3-4-14(12,13)5-6/h11H,2-5H2,1H3.
What are the key properties of N-ethyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine?
N-ethyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine has a molecular weight of 231.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-dioxo-3-(trifluoromethyl)thiolan-3-amine is sourced from PubChem (CID 66206185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).