trans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane

C11H21F3N2O2S — CID 95173996

IUPACtrans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
SMILESCCN(CC)S(=O)(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O2S/c1-3-16(4-2)19(17,18)15-10-7-5-6-9(8-10)11(12,13)14/h9-10,15H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyMUSQZSMIKKDTPG-NXEZZACHSA-N
MW302.36 g/mol
LogP2.28
Rot. Bonds5

About trans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane

trans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane (PubChem CID 95173996) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is trans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Nametrans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
PubChem CID95173996
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC Nametrans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
SMILESCCN(CC)S(=O)(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O2S/c1-3-16(4-2)19(17,18)15-10-7-5-6-9(8-10)11(12,13)14/h9-10,15H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyMUSQZSMIKKDTPG-NXEZZACHSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.28
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
4-[(4,4-Difluorocyclohexyl)methyl-sulfamoylamino]piperidine
CID 167049362
1-[[2-Cyanoethyl(methyl)sulfamoyl]amino]-4-(trifluoromethyl)cyclohexane
CID 35323866
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-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]methanesulfonamide
CID 64759599
N-[2-(aminomethyl)cyclohexyl]-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 65827245
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1,1,1-trifluoromethanesulfonamide
CID 65839639
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 65840042

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane?
The IUPAC name of trans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane (CID 95173996) is trans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane.
What is the SMILES notation for trans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane?
The canonical SMILES for trans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane is CCN(CC)S(=O)(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of trans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane?
The InChIKey is MUSQZSMIKKDTPG-NXEZZACHSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-3-16(4-2)19(17,18)15-10-7-5-6-9(8-10)11(12,13)14/h9-10,15H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane?
trans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane has a molecular weight of 302.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 95173996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).