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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
CID 62880782
2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 64909083
N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 59537672
2-[[[(2S)-2-[[2-hydroxy-3-[2-(trifluoromethyl)phenyl]phenyl]methylamino]cyclohexyl]amino]methyl]-6-(2-methylphenyl)phenol
CID 71032113
N-[2-(3-phenylpropylamino)cyclohexyl]methanesulfonamide
CID 140580794
N-[[2-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 62048945
N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide
CID 11043842
trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 15739492
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 63455912
1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 61171918
2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride
CID 25192413

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).