N-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide

C15H21F3N2O2S — CID 99778329

IUPACN-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCC[C@@H]1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O2S/c1-23(21,22)20-14-9-5-4-8-13(14)19-10-11-6-2-3-7-12(11)15(16,17)18/h2-3,6-7,13-14,19-20H,4-5,8-10H2,1H3/t13-,14-/m0/s1
InChIKeyXUVFIMKRMVXMNQ-KBPBESRZSA-N
MW350.41 g/mol
LogP2.66
Rot. Bonds5

About N-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide

N-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide (PubChem CID 99778329) has the molecular formula C15H21F3N2O2S and a molecular weight of 350.41 g/mol. Its IUPAC name is N-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide
PubChem CID99778329
Molecular FormulaC15H21F3N2O2S
Molecular Weight350.41 g/mol
Exact Mass350.13
IUPAC NameN-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCC[C@@H]1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O2S/c1-23(21,22)20-14-9-5-4-8-13(14)19-10-11-6-2-3-7-12(11)15(16,17)18/h2-3,6-7,13-14,19-20H,4-5,8-10H2,1H3/t13-,14-/m0/s1
InChIKeyXUVFIMKRMVXMNQ-KBPBESRZSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide (CID 99778329) is N-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCc1ccccc1C(F)(F)F.
What is the InChIKey of N-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide?
The InChIKey is XUVFIMKRMVXMNQ-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21F3N2O2S/c1-23(21,22)20-14-9-5-4-8-13(14)19-10-11-6-2-3-7-12(11)15(16,17)18/h2-3,6-7,13-14,19-20H,4-5,8-10H2,1H3/t13-,14-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide?
N-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide has a molecular weight of 350.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 99778329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).