N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide

C12H24F2N2O2S — CID 62009821

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCC1CCC(CN)(N(CC)S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C12H24F2N2O2S/c1-3-10-5-7-12(9-15,8-6-10)16(4-2)19(17,18)11(13)14/h10-11H,3-9,15H2,1-2H3
InChIKeyCHGHFRXDRJJNMD-UHFFFAOYSA-N
MW298.40 g/mol
LogP2.16
Rot. Bonds6

About N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide

N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide (PubChem CID 62009821) has the molecular formula C12H24F2N2O2S and a molecular weight of 298.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide
PubChem CID62009821
Molecular FormulaC12H24F2N2O2S
Molecular Weight298.40 g/mol
Exact Mass298.15
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCC1CCC(CN)(N(CC)S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C12H24F2N2O2S/c1-3-10-5-7-12(9-15,8-6-10)16(4-2)19(17,18)11(13)14/h10-11H,3-9,15H2,1-2H3
InChIKeyCHGHFRXDRJJNMD-UHFFFAOYSA-N
XLogP2.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide (CID 62009821) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide is CCC1CCC(CN)(N(CC)S(=O)(=O)C(F)F)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide?
The InChIKey is CHGHFRXDRJJNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O2S/c1-3-10-5-7-12(9-15,8-6-10)16(4-2)19(17,18)11(13)14/h10-11H,3-9,15H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide has a molecular weight of 298.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 62009821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).