N,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide

C9H17F3N2O3S — CID 64584364

IUPACN,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCC(C)S(=O)(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O3S/c1-7(2)18(16,17)14(6-9(10,11)12)5-8(15)13(3)4/h7H,5-6H2,1-4H3
InChIKeyVTSPWDRSUHPPLM-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.68
Rot. Bonds5

About N,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide

N,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide (PubChem CID 64584364) has the molecular formula C9H17F3N2O3S and a molecular weight of 290.31 g/mol. Its IUPAC name is N,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
PubChem CID64584364
Molecular FormulaC9H17F3N2O3S
Molecular Weight290.31 g/mol
Exact Mass290.09
IUPAC NameN,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCC(C)S(=O)(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O3S/c1-7(2)18(16,17)14(6-9(10,11)12)5-8(15)13(3)4/h7H,5-6H2,1-4H3
InChIKeyVTSPWDRSUHPPLM-UHFFFAOYSA-N
XLogP0.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[methyl(1,1,1-trifluoropropan-2-ylsulfonyl)amino]acetamide
CID 75452067
1-[4-(3,3,3-Trifluoropropylsulfonyl)piperazin-1-yl]propan-1-one
CID 126758826
2-[3-chloropropylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 54877257
2-[[2-(Dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60950228
2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61354870
2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61384250
2,2,2-Trifluoro-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 62728775
2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 64584365
N,N-dimethyl-2-[methylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
CID 64584366
N,N-dimethyl-2-[propylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
CID 64584559
N-ethyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78865570
N-butyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78884589

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide (CID 64584364) is N,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide is CC(C)S(=O)(=O)N(CC(=O)N(C)C)CC(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide?
The InChIKey is VTSPWDRSUHPPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3S/c1-7(2)18(16,17)14(6-9(10,11)12)5-8(15)13(3)4/h7H,5-6H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide?
N,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide has a molecular weight of 290.31 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide is sourced from PubChem (CID 64584364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).