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

C10H17F3N2O4S — CID 79805748

IUPAC2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide
SMILESCC(N)(C(=O)N(CCO)C1CCS(=O)(=O)C1)C(F)(F)F
InChIInChI=1S/C10H17F3N2O4S/c1-9(14,10(11,12)13)8(17)15(3-4-16)7-2-5-20(18,19)6-7/h7,16H,2-6,14H2,1H3
InChIKeyWJZXSUBIPMCZNM-UHFFFAOYSA-N
MW318.32 g/mol
LogP-0.73
Rot. Bonds4

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

2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide (PubChem CID 79805748) has the molecular formula C10H17F3N2O4S and a molecular weight of 318.32 g/mol. Its IUPAC name is 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide
PubChem CID79805748
Molecular FormulaC10H17F3N2O4S
Molecular Weight318.32 g/mol
Exact Mass318.09
IUPAC Name2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide
SMILESCC(N)(C(=O)N(CCO)C1CCS(=O)(=O)C1)C(F)(F)F
InChIInChI=1S/C10H17F3N2O4S/c1-9(14,10(11,12)13)8(17)15(3-4-16)7-2-5-20(18,19)6-7/h7,16H,2-6,14H2,1H3
InChIKeyWJZXSUBIPMCZNM-UHFFFAOYSA-N
XLogP-0.73
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide with MolForge

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Related Compounds

2-amino-N-(2-hydroxyethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 54874270
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261438
2-[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 79792118
2-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 79792531
2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-methoxyethyl)-2-methylpropanamide
CID 79792936
2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79797533
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,3,3-trifluoro-2-methylpropanamide
CID 79804793
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 103865017
N-(2-hydroxyethyl)-2-(propylsulfonylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 103915656
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide
CID 107479498
N-(2,2-difluoroethyl)-2-(ethylsulfonylamino)-N-(2-hydroxyethyl)-4-methylsulfanylbutanamide
CID 107482498
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylsulfonylamino)propanamide
CID 107482946

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide (CID 79805748) is 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide is CC(N)(C(=O)N(CCO)C1CCS(=O)(=O)C1)C(F)(F)F.
What is the InChIKey of 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide?
The InChIKey is WJZXSUBIPMCZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O4S/c1-9(14,10(11,12)13)8(17)15(3-4-16)7-2-5-20(18,19)6-7/h7,16H,2-6,14H2,1H3.
What are the key properties of 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide?
2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide has a molecular weight of 318.32 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide is sourced from PubChem (CID 79805748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).