trans-(1S,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane

C9H17F3N2O2S — CID 95286793

IUPACtrans-(1S,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
SMILESCN(C)S(=O)(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O2S/c1-14(2)17(15,16)13-8-5-3-4-7(6-8)9(10,11)12/h7-8,13H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyJHODWXDCCZEFQD-YUMQZZPRSA-N
MW274.31 g/mol
LogP1.50
Rot. Bonds3

About trans-(1S,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane

trans-(1S,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane (PubChem CID 95286793) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is trans-(1S,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Nametrans-(1S,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
PubChem CID95286793
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Nametrans-(1S,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
SMILESCN(C)S(=O)(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O2S/c1-14(2)17(15,16)13-8-5-3-4-7(6-8)9(10,11)12/h7-8,13H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyJHODWXDCCZEFQD-YUMQZZPRSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-Difluoro-4-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane
CID 167049000
1-[[Propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane
CID 167049007
1,1-Difluoro-4-[[methyl(sulfamoyl)amino]methyl]cyclohexane
CID 167049417
1-[[2-Cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane
CID 35323866
N-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 53376205
1-(Diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53524276
1-(Dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53526125
N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide
CID 61254499
N-ethyl-N-[3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide
CID 64757791
N-[2-(aminomethyl)cyclohexyl]-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 65827245
N-[2-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 65828635
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1,1,1-trifluoromethanesulfonamide
CID 65839639

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane?
The IUPAC name of trans-(1S,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane (CID 95286793) is trans-(1S,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane.
What is the SMILES notation for trans-(1S,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane?
The canonical SMILES for trans-(1S,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane is CN(C)S(=O)(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of trans-(1S,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane?
The InChIKey is JHODWXDCCZEFQD-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-14(2)17(15,16)13-8-5-3-4-7(6-8)9(10,11)12/h7-8,13H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of trans-(1S,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane?
trans-(1S,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane has a molecular weight of 274.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 95286793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).