N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide

C8H18F2N2O2S — CID 107493814

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-8(2,3)15(13,14)12(5-4-11)6-7(9)10/h7H,4-6,11H2,1-3H3
InChIKeyARGPRNRWUUZNJE-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.64
Rot. Bonds5

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide (PubChem CID 107493814) has the molecular formula C8H18F2N2O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide
PubChem CID107493814
Molecular FormulaC8H18F2N2O2S
Molecular Weight244.31 g/mol
Exact Mass244.11
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-8(2,3)15(13,14)12(5-4-11)6-7(9)10/h7H,4-6,11H2,1-3H3
InChIKeyARGPRNRWUUZNJE-UHFFFAOYSA-N
XLogP0.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide (CID 107493814) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)N(CCN)CC(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide?
The InChIKey is ARGPRNRWUUZNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O2S/c1-8(2,3)15(13,14)12(5-4-11)6-7(9)10/h7H,4-6,11H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide has a molecular weight of 244.31 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 107493814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).