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

C10H17F3N2O4S — CID 79261438

IUPACN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17F3N2O4S/c11-10(12,13)7-14-5-9(17)15(2-3-16)8-1-4-20(18,19)6-8/h8,14,16H,1-7H2
InChIKeyWWLYJQOQMHBWOB-UHFFFAOYSA-N
MW318.32 g/mol
LogP-0.85
Rot. Bonds6

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

N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79261438) has the molecular formula C10H17F3N2O4S and a molecular weight of 318.32 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79261438
Molecular FormulaC10H17F3N2O4S
Molecular Weight318.32 g/mol
Exact Mass318.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17F3N2O4S/c11-10(12,13)7-14-5-9(17)15(2-3-16)8-1-4-20(18,19)6-8/h8,14,16H,1-7H2
InChIKeyWWLYJQOQMHBWOB-UHFFFAOYSA-N
XLogP-0.85
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79261438) is N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)N(CCO)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is WWLYJQOQMHBWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O4S/c11-10(12,13)7-14-5-9(17)15(2-3-16)8-1-4-20(18,19)6-8/h8,14,16H,1-7H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 318.32 g/mol, XLogP of -0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79261438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).