1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide

C10H19F3N2O2S — CID 71057841

IUPAC1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C10H19F3N2O2S/c1-15(7-10(11,12)13)18(16,17)8-9(14)5-3-2-4-6-9/h2-8,14H2,1H3
InChIKeyUEGWPPUAHKUIOG-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.47
Rot. Bonds4

About 1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide

1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 71057841) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID71057841
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.33 g/mol
Exact Mass288.11
IUPAC Name1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C10H19F3N2O2S/c1-15(7-10(11,12)13)18(16,17)8-9(14)5-3-2-4-6-9/h2-8,14H2,1H3
InChIKeyUEGWPPUAHKUIOG-UHFFFAOYSA-N
XLogP1.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of 1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 71057841) is 1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for 1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for 1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide is CN(CC(F)(F)F)S(=O)(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is UEGWPPUAHKUIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-15(7-10(11,12)13)18(16,17)8-9(14)5-3-2-4-6-9/h2-8,14H2,1H3.
What are the key properties of 1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.47, 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-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 71057841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).