2-[[cyanomethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane

C5H8F3N3O2S — CID 114807771

IUPAC2-[[cyanomethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane
SMILESCN(CC#N)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H8F3N3O2S/c1-11(3-2-9)14(12,13)10-4-5(6,7)8/h10H,3-4H2,1H3
InChIKeyFERBCGYMEJGKIV-UHFFFAOYSA-N
MW231.20 g/mol
LogP-0.16
Rot. Bonds4

About 2-[[cyanomethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane

2-[[cyanomethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane (PubChem CID 114807771) has the molecular formula C5H8F3N3O2S and a molecular weight of 231.20 g/mol. Its IUPAC name is 2-[[cyanomethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[[cyanomethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane
PubChem CID114807771
Molecular FormulaC5H8F3N3O2S
Molecular Weight231.20 g/mol
Exact Mass231.03
IUPAC Name2-[[cyanomethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane
SMILESCN(CC#N)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H8F3N3O2S/c1-11(3-2-9)14(12,13)10-4-5(6,7)8/h10H,3-4H2,1H3
InChIKeyFERBCGYMEJGKIV-UHFFFAOYSA-N
XLogP-0.16
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[[Ethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane
CID 88047146
2-[Ethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane
CID 88047147
1-Amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane
CID 114384014
2-[[2-Aminoethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane
CID 114803706
2-(Dimethylsulfamoylamino)-1,1,1-trifluoroethane
CID 114807153
2-(Diethylsulfamoylamino)-1,1,1-trifluoroethane
CID 114807154
2-(2,2,2-Trifluoroethylsulfamoylamino)acetonitrile
CID 114807656
1-Cyano-2-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane
CID 114807754
2-Cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 114807758
2-[[Cyanomethyl(ethyl)sulfamoyl]amino]-1,1,1-trifluoroethane
CID 114807778
1-[Cyanomethyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 114807785
1-Cyano-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]ethane
CID 114807792

Frequently Asked Questions

What is the IUPAC name of 2-[[cyanomethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane?
The IUPAC name of 2-[[cyanomethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane (CID 114807771) is 2-[[cyanomethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[[cyanomethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[[cyanomethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane is CN(CC#N)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[cyanomethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane?
The InChIKey is FERBCGYMEJGKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N3O2S/c1-11(3-2-9)14(12,13)10-4-5(6,7)8/h10H,3-4H2,1H3.
What are the key properties of 2-[[cyanomethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane?
2-[[cyanomethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane has a molecular weight of 231.20 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyanomethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane is sourced from PubChem (CID 114807771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).