1,1-dioxo-4-[propyl(2,2,2-trifluoroethyl)amino]thiolan-3-ol

C9H16F3NO3S — CID 55008781

IUPAC1,1-dioxo-4-[propyl(2,2,2-trifluoroethyl)amino]thiolan-3-ol
SMILESCCCN(CC(F)(F)F)C1CS(=O)(=O)CC1O
InChIInChI=1S/C9H16F3NO3S/c1-2-3-13(6-9(10,11)12)7-4-17(15,16)5-8(7)14/h7-8,14H,2-6H2,1H3
InChIKeyWKEVMPUNXPWNNE-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.42
Rot. Bonds4

About 1,1-dioxo-4-[propyl(2,2,2-trifluoroethyl)amino]thiolan-3-ol

1,1-dioxo-4-[propyl(2,2,2-trifluoroethyl)amino]thiolan-3-ol (PubChem CID 55008781) has the molecular formula C9H16F3NO3S and a molecular weight of 275.29 g/mol. Its IUPAC name is 1,1-dioxo-4-[propyl(2,2,2-trifluoroethyl)amino]thiolan-3-ol.

Molecular Properties

Compound Name1,1-dioxo-4-[propyl(2,2,2-trifluoroethyl)amino]thiolan-3-ol
PubChem CID55008781
Molecular FormulaC9H16F3NO3S
Molecular Weight275.29 g/mol
Exact Mass275.08
IUPAC Name1,1-dioxo-4-[propyl(2,2,2-trifluoroethyl)amino]thiolan-3-ol
SMILESCCCN(CC(F)(F)F)C1CS(=O)(=O)CC1O
InChIInChI=1S/C9H16F3NO3S/c1-2-3-13(6-9(10,11)12)7-4-17(15,16)5-8(7)14/h7-8,14H,2-6H2,1H3
InChIKeyWKEVMPUNXPWNNE-UHFFFAOYSA-N
XLogP0.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-[propyl(2,2,2-trifluoroethyl)amino]thiolan-3-ol?
The IUPAC name of 1,1-dioxo-4-[propyl(2,2,2-trifluoroethyl)amino]thiolan-3-ol (CID 55008781) is 1,1-dioxo-4-[propyl(2,2,2-trifluoroethyl)amino]thiolan-3-ol.
What is the SMILES notation for 1,1-dioxo-4-[propyl(2,2,2-trifluoroethyl)amino]thiolan-3-ol?
The canonical SMILES for 1,1-dioxo-4-[propyl(2,2,2-trifluoroethyl)amino]thiolan-3-ol is CCCN(CC(F)(F)F)C1CS(=O)(=O)CC1O.
What is the InChIKey of 1,1-dioxo-4-[propyl(2,2,2-trifluoroethyl)amino]thiolan-3-ol?
The InChIKey is WKEVMPUNXPWNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3S/c1-2-3-13(6-9(10,11)12)7-4-17(15,16)5-8(7)14/h7-8,14H,2-6H2,1H3.
What are the key properties of 1,1-dioxo-4-[propyl(2,2,2-trifluoroethyl)amino]thiolan-3-ol?
1,1-dioxo-4-[propyl(2,2,2-trifluoroethyl)amino]thiolan-3-ol has a molecular weight of 275.29 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-[propyl(2,2,2-trifluoroethyl)amino]thiolan-3-ol is sourced from PubChem (CID 55008781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).