2-(dimethylsulfamoylamino)-1,1,1-trifluoroethane

C4H9F3N2O2S — CID 114807153

IUPAC2-(dimethylsulfamoylamino)-1,1,1-trifluoroethane
SMILESCN(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H9F3N2O2S/c1-9(2)12(10,11)8-3-4(5,6)7/h8H,3H2,1-2H3
InChIKeyAOGIMJITRNFNBC-UHFFFAOYSA-N
MW206.19 g/mol
LogP-0.06
Rot. Bonds3

About 2-(dimethylsulfamoylamino)-1,1,1-trifluoroethane

2-(dimethylsulfamoylamino)-1,1,1-trifluoroethane (PubChem CID 114807153) has the molecular formula C4H9F3N2O2S and a molecular weight of 206.19 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-1,1,1-trifluoroethane
PubChem CID114807153
Molecular FormulaC4H9F3N2O2S
Molecular Weight206.19 g/mol
Exact Mass206.03
IUPAC Name2-(dimethylsulfamoylamino)-1,1,1-trifluoroethane
SMILESCN(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H9F3N2O2S/c1-9(2)12(10,11)8-3-4(5,6)7/h8H,3H2,1-2H3
InChIKeyAOGIMJITRNFNBC-UHFFFAOYSA-N
XLogP-0.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(dimethylsulfamoylamino)-1,1,1-trifluoroethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Methyl-N-(2,2,2-trifluoroethyl)-sulfamide
CID 60762867
1,1,1-Trifluoro-3-[methyl(sulfamoyl)amino]propane
CID 61384450
2-[[Ethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane
CID 88047146
2-[Ethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane
CID 88047147
N-(2,2-Difluoroethyl)-N-methylsulfamide
CID 88598102
2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine
CID 114807143
3,3-difluoro-N-methylazetidine-1-sulfonamide
CID 129131115
[(2,2-Difluoropropyl)(methyl)sulfamoyl]amine
CID 164649432
2-[Ethyl(sulfamoyl)amino]-1,1,1-trifluoroethane
CID 61073941
1-Amino-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 61456355
N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 61456649
3-[[3-Aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane
CID 63226678

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-1,1,1-trifluoroethane?
The IUPAC name of 2-(dimethylsulfamoylamino)-1,1,1-trifluoroethane (CID 114807153) is 2-(dimethylsulfamoylamino)-1,1,1-trifluoroethane.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-1,1,1-trifluoroethane?
The canonical SMILES for 2-(dimethylsulfamoylamino)-1,1,1-trifluoroethane is CN(C)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-(dimethylsulfamoylamino)-1,1,1-trifluoroethane?
The InChIKey is AOGIMJITRNFNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2O2S/c1-9(2)12(10,11)8-3-4(5,6)7/h8H,3H2,1-2H3.
What are the key properties of 2-(dimethylsulfamoylamino)-1,1,1-trifluoroethane?
2-(dimethylsulfamoylamino)-1,1,1-trifluoroethane has a molecular weight of 206.19 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-1,1,1-trifluoroethane is sourced from PubChem (CID 114807153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).