trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine

C8H16F3N3O2S — CID 102725003

IUPACtrans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2S/c9-8(10,11)5-13-17(15,16)14-7-4-2-1-3-6(7)12/h6-7,13-14H,1-5,12H2/t6-,7-/m1/s1
InChIKeyTVJVQCVFMDUVQG-RNFRBKRXSA-N
MW275.30 g/mol
LogP0.24
Rot. Bonds4

About trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine

trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine (PubChem CID 102725003) has the molecular formula C8H16F3N3O2S and a molecular weight of 275.30 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine
PubChem CID102725003
Molecular FormulaC8H16F3N3O2S
Molecular Weight275.30 g/mol
Exact Mass275.09
IUPAC Nametrans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2S/c9-8(10,11)5-13-17(15,16)14-7-4-2-1-3-6(7)12/h6-7,13-14H,1-5,12H2/t6-,7-/m1/s1
InChIKeyTVJVQCVFMDUVQG-RNFRBKRXSA-N
XLogP0.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine (CID 102725003) is trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine is N[C@@H]1CCCC[C@H]1NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine?
The InChIKey is TVJVQCVFMDUVQG-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H16F3N3O2S/c9-8(10,11)5-13-17(15,16)14-7-4-2-1-3-6(7)12/h6-7,13-14H,1-5,12H2/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine has a molecular weight of 275.30 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 102725003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).