N-[(1R,2R)-1,2-dicyclohexyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide

C16H26F6N2O4S2 — CID 139189976

IUPACN-[(1R,2R)-1,2-dicyclohexyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(N[C@H](C1CCCCC1)[C@H](NS(=O)(=O)C(F)(F)F)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C16H26F6N2O4S2/c17-15(18,19)29(25,26)23-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)24-30(27,28)16(20,21)22/h11-14,23-24H,1-10H2/t13-,14-/m1/s1
InChIKeyWLNPAKBLVPXDNG-ZIAGYGMSSA-N
MW488.52 g/mol
LogP3.76
Rot. Bonds7

About N-[(1R,2R)-1,2-dicyclohexyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide

N-[(1R,2R)-1,2-dicyclohexyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 139189976) has the molecular formula C16H26F6N2O4S2 and a molecular weight of 488.52 g/mol. Its IUPAC name is N-[(1R,2R)-1,2-dicyclohexyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-1,2-dicyclohexyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID139189976
Molecular FormulaC16H26F6N2O4S2
Molecular Weight488.52 g/mol
Exact Mass488.12
IUPAC NameN-[(1R,2R)-1,2-dicyclohexyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(N[C@H](C1CCCCC1)[C@H](NS(=O)(=O)C(F)(F)F)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C16H26F6N2O4S2/c17-15(18,19)29(25,26)23-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)24-30(27,28)16(20,21)22/h11-14,23-24H,1-10H2/t13-,14-/m1/s1
InChIKeyWLNPAKBLVPXDNG-ZIAGYGMSSA-N
XLogP3.76
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R)-1,2-dicyclohexyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide with MolForge

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Related Compounds

N-[2-(3-bicyclo[3.3.1]nonanyl)ethyl]-1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfinamoyl)propane-1-sulfonamide
CID 123484591
trifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide
CID 143893301
N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide
CID 61124961
N-(2-amino-1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 115309376
N-[1,2-dicyclohexyl-2-(methanesulfonamido)ethyl]methanesulfonamide
CID 67266625

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1,2-dicyclohexyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(1R,2R)-1,2-dicyclohexyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide (CID 139189976) is N-[(1R,2R)-1,2-dicyclohexyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(1R,2R)-1,2-dicyclohexyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(1R,2R)-1,2-dicyclohexyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(N[C@H](C1CCCCC1)[C@H](NS(=O)(=O)C(F)(F)F)C1CCCCC1)C(F)(F)F.
What is the InChIKey of N-[(1R,2R)-1,2-dicyclohexyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is WLNPAKBLVPXDNG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H26F6N2O4S2/c17-15(18,19)29(25,26)23-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)24-30(27,28)16(20,21)22/h11-14,23-24H,1-10H2/t13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-1,2-dicyclohexyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide?
N-[(1R,2R)-1,2-dicyclohexyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 488.52 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1,2-dicyclohexyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 139189976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).