1-(1-aminocyclohexyl)-N-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide

C12H23F3N2O2S — CID 71057775

IUPAC1-(1-aminocyclohexyl)-N-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide
SMILESCN(C(C)(C)C(F)(F)F)S(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C12H23F3N2O2S/c1-10(2,12(13,14)15)17(3)20(18,19)9-11(16)7-5-4-6-8-11/h4-9,16H2,1-3H3
InChIKeyJJUFXEIQXSWASH-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.25
Rot. Bonds4

About 1-(1-aminocyclohexyl)-N-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide

1-(1-aminocyclohexyl)-N-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide (PubChem CID 71057775) has the molecular formula C12H23F3N2O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-N-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-N-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide
PubChem CID71057775
Molecular FormulaC12H23F3N2O2S
Molecular Weight316.39 g/mol
Exact Mass316.14
IUPAC Name1-(1-aminocyclohexyl)-N-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide
SMILESCN(C(C)(C)C(F)(F)F)S(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C12H23F3N2O2S/c1-10(2,12(13,14)15)17(3)20(18,19)9-11(16)7-5-4-6-8-11/h4-9,16H2,1-3H3
InChIKeyJJUFXEIQXSWASH-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide
CID 71057771
1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide
CID 71057816
1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 71057841
1-(1-aminocyclohexyl)-N-(2,2-difluoropropyl)-N-methylmethanesulfonamide
CID 71057852
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83048542
1-(4,4,4-Trifluorobutylsulfonylamino)cyclohexane-1-carbothioamide
CID 83058633
N-[2-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83058930
N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059396
N-[(1-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059415
N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067714
N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83068012
N-[1-(aminomethyl)cyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83068387

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-N-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide?
The IUPAC name of 1-(1-aminocyclohexyl)-N-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide (CID 71057775) is 1-(1-aminocyclohexyl)-N-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(1-aminocyclohexyl)-N-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide?
The canonical SMILES for 1-(1-aminocyclohexyl)-N-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide is CN(C(C)(C)C(F)(F)F)S(=O)(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-N-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide?
The InChIKey is JJUFXEIQXSWASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2S/c1-10(2,12(13,14)15)17(3)20(18,19)9-11(16)7-5-4-6-8-11/h4-9,16H2,1-3H3.
What are the key properties of 1-(1-aminocyclohexyl)-N-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide?
1-(1-aminocyclohexyl)-N-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide has a molecular weight of 316.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-N-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 71057775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).