1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine

C10H20F3N3O2S — CID 114803675

IUPAC1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
SMILESNCC(NS(=O)(=O)NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H20F3N3O2S/c11-10(12,13)7-15-19(17,18)16-9(6-14)8-4-2-1-3-5-8/h8-9,15-16H,1-7,14H2
InChIKeyJXPFCZZRTLABEH-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.88
Rot. Bonds6

About 1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine

1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine (PubChem CID 114803675) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
PubChem CID114803675
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC Name1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
SMILESNCC(NS(=O)(=O)NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H20F3N3O2S/c11-10(12,13)7-15-19(17,18)16-9(6-14)8-4-2-1-3-5-8/h8-9,15-16H,1-7,14H2
InChIKeyJXPFCZZRTLABEH-UHFFFAOYSA-N
XLogP0.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 126625569
N-[4-(aminomethyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 132175511
N-(4-ethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 132175521
N-(1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 146718329
1,1-Difluoro-4-[(sulfamoylamino)methyl]cyclohexane
CID 175947615
1-[(Sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane
CID 175947647
1-(Diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53524276
1-(Dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53526125
2-Cyclohexyl-2-(difluoromethylsulfonylamino)ethanethioamide
CID 61122303
N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide
CID 61124961
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83067865
cis-(1R,3S)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95173994

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine (CID 114803675) is 1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine is NCC(NS(=O)(=O)NCC(F)(F)F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
The InChIKey is JXPFCZZRTLABEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c11-10(12,13)7-15-19(17,18)16-9(6-14)8-4-2-1-3-5-8/h8-9,15-16H,1-7,14H2.
What are the key properties of 1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine has a molecular weight of 303.35 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine is sourced from PubChem (CID 114803675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).