N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide

C10H17F3N2O3S — CID 78914836

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCN(C(=O)CNCC(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17F3N2O3S/c1-2-15(8-3-4-19(17,18)6-8)9(16)5-14-7-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyVKFKKLOPAYCJND-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.17
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914836) has the molecular formula C10H17F3N2O3S and a molecular weight of 302.32 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914836
Molecular FormulaC10H17F3N2O3S
Molecular Weight302.32 g/mol
Exact Mass302.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCN(C(=O)CNCC(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17F3N2O3S/c1-2-15(8-3-4-19(17,18)6-8)9(16)5-14-7-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyVKFKKLOPAYCJND-UHFFFAOYSA-N
XLogP0.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914836) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide is CCN(C(=O)CNCC(F)(F)F)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is VKFKKLOPAYCJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3S/c1-2-15(8-3-4-19(17,18)6-8)9(16)5-14-7-10(11,12)13/h8,14H,2-7H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 302.32 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).