1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide

C6H10F3NO5S2 — CID 82715812

IUPAC1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NOCC(F)(F)F)C1
InChIInChI=1S/C6H10F3NO5S2/c7-6(8,9)4-15-10-17(13,14)5-1-2-16(11,12)3-5/h5,10H,1-4H2
InChIKeyQTHYGULEZQZKGL-UHFFFAOYSA-N
MW297.28 g/mol
LogP-0.41
Rot. Bonds4

About 1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide

1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide (PubChem CID 82715812) has the molecular formula C6H10F3NO5S2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide
PubChem CID82715812
Molecular FormulaC6H10F3NO5S2
Molecular Weight297.28 g/mol
Exact Mass297.00
IUPAC Name1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NOCC(F)(F)F)C1
InChIInChI=1S/C6H10F3NO5S2/c7-6(8,9)4-15-10-17(13,14)5-1-2-16(11,12)3-5/h5,10H,1-4H2
InChIKeyQTHYGULEZQZKGL-UHFFFAOYSA-N
XLogP-0.41
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide?
The IUPAC name of 1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide (CID 82715812) is 1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide.
What is the SMILES notation for 1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide?
The canonical SMILES for 1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)NOCC(F)(F)F)C1.
What is the InChIKey of 1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide?
The InChIKey is QTHYGULEZQZKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO5S2/c7-6(8,9)4-15-10-17(13,14)5-1-2-16(11,12)3-5/h5,10H,1-4H2.
What are the key properties of 1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide?
1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide has a molecular weight of 297.28 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(2,2,2-trifluoroethoxy)thiolane-3-sulfonamide is sourced from PubChem (CID 82715812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).