3-N-ethyl-1,1-dioxo-3-N-(2,2,2-trifluoroethyl)thiolane-3,4-diamine

C8H15F3N2O2S — CID 62692315

IUPAC3-N-ethyl-1,1-dioxo-3-N-(2,2,2-trifluoroethyl)thiolane-3,4-diamine
SMILESCCN(CC(F)(F)F)C1CS(=O)(=O)CC1N
InChIInChI=1S/C8H15F3N2O2S/c1-2-13(5-8(9,10)11)7-4-16(14,15)3-6(7)12/h6-7H,2-5,12H2,1H3
InChIKeyYHIWRFDWTGJIKM-UHFFFAOYSA-N
MW260.28 g/mol
LogP-0.01
Rot. Bonds3

About 3-N-ethyl-1,1-dioxo-3-N-(2,2,2-trifluoroethyl)thiolane-3,4-diamine

3-N-ethyl-1,1-dioxo-3-N-(2,2,2-trifluoroethyl)thiolane-3,4-diamine (PubChem CID 62692315) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 3-N-ethyl-1,1-dioxo-3-N-(2,2,2-trifluoroethyl)thiolane-3,4-diamine.

Molecular Properties

Compound Name3-N-ethyl-1,1-dioxo-3-N-(2,2,2-trifluoroethyl)thiolane-3,4-diamine
PubChem CID62692315
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Name3-N-ethyl-1,1-dioxo-3-N-(2,2,2-trifluoroethyl)thiolane-3,4-diamine
SMILESCCN(CC(F)(F)F)C1CS(=O)(=O)CC1N
InChIInChI=1S/C8H15F3N2O2S/c1-2-13(5-8(9,10)11)7-4-16(14,15)3-6(7)12/h6-7H,2-5,12H2,1H3
InChIKeyYHIWRFDWTGJIKM-UHFFFAOYSA-N
XLogP-0.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1,1-dioxo-3-N-(2,2,2-trifluoroethyl)thiolane-3,4-diamine?
The IUPAC name of 3-N-ethyl-1,1-dioxo-3-N-(2,2,2-trifluoroethyl)thiolane-3,4-diamine (CID 62692315) is 3-N-ethyl-1,1-dioxo-3-N-(2,2,2-trifluoroethyl)thiolane-3,4-diamine.
What is the SMILES notation for 3-N-ethyl-1,1-dioxo-3-N-(2,2,2-trifluoroethyl)thiolane-3,4-diamine?
The canonical SMILES for 3-N-ethyl-1,1-dioxo-3-N-(2,2,2-trifluoroethyl)thiolane-3,4-diamine is CCN(CC(F)(F)F)C1CS(=O)(=O)CC1N.
What is the InChIKey of 3-N-ethyl-1,1-dioxo-3-N-(2,2,2-trifluoroethyl)thiolane-3,4-diamine?
The InChIKey is YHIWRFDWTGJIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c1-2-13(5-8(9,10)11)7-4-16(14,15)3-6(7)12/h6-7H,2-5,12H2,1H3.
What are the key properties of 3-N-ethyl-1,1-dioxo-3-N-(2,2,2-trifluoroethyl)thiolane-3,4-diamine?
3-N-ethyl-1,1-dioxo-3-N-(2,2,2-trifluoroethyl)thiolane-3,4-diamine has a molecular weight of 260.28 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1,1-dioxo-3-N-(2,2,2-trifluoroethyl)thiolane-3,4-diamine is sourced from PubChem (CID 62692315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).