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

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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).