2-[(2-tert-butylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide

C12H21F3N2O2S — CID 78882504

IUPAC2-[(2-tert-butylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)CSC(C)(C)C
InChIInChI=1S/C12H21F3N2O2S/c1-11(2,3)20-7-10(19)17(8-12(13,14)15)6-9(18)16(4)5/h6-8H2,1-5H3
InChIKeySYBUAFZXHLXJJP-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.00
Rot. Bonds5

About 2-[(2-tert-butylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide

2-[(2-tert-butylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide (PubChem CID 78882504) has the molecular formula C12H21F3N2O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-[(2-tert-butylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-tert-butylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
PubChem CID78882504
Molecular FormulaC12H21F3N2O2S
Molecular Weight314.37 g/mol
Exact Mass314.13
IUPAC Name2-[(2-tert-butylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)CSC(C)(C)C
InChIInChI=1S/C12H21F3N2O2S/c1-11(2,3)20-7-10(19)17(8-12(13,14)15)6-9(18)16(4)5/h6-8H2,1-5H3
InChIKeySYBUAFZXHLXJJP-UHFFFAOYSA-N
XLogP2.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-tert-butylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide (CID 78882504) is 2-[(2-tert-butylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-tert-butylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-tert-butylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)CSC(C)(C)C.
What is the InChIKey of 2-[(2-tert-butylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
The InChIKey is SYBUAFZXHLXJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2S/c1-11(2,3)20-7-10(19)17(8-12(13,14)15)6-9(18)16(4)5/h6-8H2,1-5H3.
What are the key properties of 2-[(2-tert-butylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide?
2-[(2-tert-butylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide has a molecular weight of 314.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylsulfanylacetyl)-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 78882504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).