2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,3,3-trifluoro-2-methylpropanamide

C10H17F3N2O3S — CID 79804793

IUPAC2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,3,3-trifluoro-2-methylpropanamide
SMILESCCN(C(=O)C(C)(N)C(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17F3N2O3S/c1-3-15(7-4-5-19(17,18)6-7)8(16)9(2,14)10(11,12)13/h7H,3-6,14H2,1-2H3
InChIKeyMBPGUMBYSLBQPW-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.30
Rot. Bonds3

About 2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79804793) has the molecular formula C10H17F3N2O3S and a molecular weight of 302.32 g/mol. Its IUPAC name is 2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79804793
Molecular FormulaC10H17F3N2O3S
Molecular Weight302.32 g/mol
Exact Mass302.09
IUPAC Name2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,3,3-trifluoro-2-methylpropanamide
SMILESCCN(C(=O)C(C)(N)C(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17F3N2O3S/c1-3-15(7-4-5-19(17,18)6-7)8(16)9(2,14)10(11,12)13/h7H,3-6,14H2,1-2H3
InChIKeyMBPGUMBYSLBQPW-UHFFFAOYSA-N
XLogP0.30
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,3,3-trifluoro-2-methylpropanamide (CID 79804793) is 2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,3,3-trifluoro-2-methylpropanamide is CCN(C(=O)C(C)(N)C(F)(F)F)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is MBPGUMBYSLBQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3S/c1-3-15(7-4-5-19(17,18)6-7)8(16)9(2,14)10(11,12)13/h7H,3-6,14H2,1-2H3.
What are the key properties of 2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 302.32 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79804793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).