N-(ethylsulfamoyl)-2,2,2-trifluoroethanamine

C4H9F3N2O2S — CID 114807144

IUPACN-(ethylsulfamoyl)-2,2,2-trifluoroethanamine
SMILESCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H9F3N2O2S/c1-2-8-12(10,11)9-3-4(5,6)7/h8-9H,2-3H2,1H3
InChIKeyZDDJZINKQBUPGP-UHFFFAOYSA-N
MW206.19 g/mol
LogP-0.01
Rot. Bonds4

About N-(ethylsulfamoyl)-2,2,2-trifluoroethanamine

N-(ethylsulfamoyl)-2,2,2-trifluoroethanamine (PubChem CID 114807144) has the molecular formula C4H9F3N2O2S and a molecular weight of 206.19 g/mol. Its IUPAC name is N-(ethylsulfamoyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(ethylsulfamoyl)-2,2,2-trifluoroethanamine
PubChem CID114807144
Molecular FormulaC4H9F3N2O2S
Molecular Weight206.19 g/mol
Exact Mass206.03
IUPAC NameN-(ethylsulfamoyl)-2,2,2-trifluoroethanamine
SMILESCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H9F3N2O2S/c1-2-8-12(10,11)9-3-4(5,6)7/h8-9H,2-3H2,1H3
InChIKeyZDDJZINKQBUPGP-UHFFFAOYSA-N
XLogP-0.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-Diethylsulfamide
CID 219236
Difluoroethylsulfamide
CID 112695841
(2-Aminoethyl)[(2,2,2-trifluoroethyl)sulfamoyl]amine hydrochloride
CID 75478986
N-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine
CID 22621389
N-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine
CID 22621391
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
N-(2,2-difluoroethyl)sulfamate
CID 86632791
1,1,1-Trifluoro-2-(sulfamoylamino)ethane
CID 87272721
2-[[Ethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane
CID 88047146
2-[Ethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane
CID 88047147
trifluoromethyl N-propylsulfamate
CID 91366587
trifluoromethyl N-ethylsulfamate
CID 91451951

Frequently Asked Questions

What is the IUPAC name of N-(ethylsulfamoyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(ethylsulfamoyl)-2,2,2-trifluoroethanamine (CID 114807144) is N-(ethylsulfamoyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(ethylsulfamoyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(ethylsulfamoyl)-2,2,2-trifluoroethanamine is CCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N-(ethylsulfamoyl)-2,2,2-trifluoroethanamine?
The InChIKey is ZDDJZINKQBUPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2O2S/c1-2-8-12(10,11)9-3-4(5,6)7/h8-9H,2-3H2,1H3.
What are the key properties of N-(ethylsulfamoyl)-2,2,2-trifluoroethanamine?
N-(ethylsulfamoyl)-2,2,2-trifluoroethanamine has a molecular weight of 206.19 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylsulfamoyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 114807144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).