N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide

C12H23F3N2O2S — CID 64755484

IUPACN-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1CCC(C(F)(F)F)CC1)NS(C)(=O)=O
InChIInChI=1S/C12H23F3N2O2S/c1-11(2,17-20(3,18)19)8-16-10-6-4-9(5-7-10)12(13,14)15/h9-10,16-17H,4-8H2,1-3H3
InChIKeyUNXTUCLSDCLDIF-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.02
Rot. Bonds5

About N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide

N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide (PubChem CID 64755484) has the molecular formula C12H23F3N2O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide
PubChem CID64755484
Molecular FormulaC12H23F3N2O2S
Molecular Weight316.39 g/mol
Exact Mass316.14
IUPAC NameN-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1CCC(C(F)(F)F)CC1)NS(C)(=O)=O
InChIInChI=1S/C12H23F3N2O2S/c1-11(2,17-20(3,18)19)8-16-10-6-4-9(5-7-10)12(13,14)15/h9-10,16-17H,4-8H2,1-3H3
InChIKeyUNXTUCLSDCLDIF-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]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

N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide
CID 118241725
N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343599
N-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343667
N-((4,4-Difluoro-2,5-dimethylpiperidin-3-yl)methyl)methanesulfonamide
CID 139343963
2-Aminoethyl(2-ethylhexyl)azanium;methylsulfonyl(trifluoromethylsulfonyl)azanide
CID 159742918
N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;methane
CID 162066506
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940710
1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide
CID 43523458
N-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine
CID 55258000
1-[1-(difluoromethylsulfonyl)piperidin-3-yl]-N-ethylethanamine
CID 55258196
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62007814
N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62007827

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide (CID 64755484) is N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide is CC(C)(CNC1CCC(C(F)(F)F)CC1)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide?
The InChIKey is UNXTUCLSDCLDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2S/c1-11(2,17-20(3,18)19)8-16-10-6-4-9(5-7-10)12(13,14)15/h9-10,16-17H,4-8H2,1-3H3.
What are the key properties of N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide?
N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide has a molecular weight of 316.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 64755484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).