N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide

C8H18F2N2O2S — CID 62010049

IUPACN-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCN(C(C)(CC)CN)S(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-4-8(3,6-11)12(5-2)15(13,14)7(9)10/h7H,4-6,11H2,1-3H3
InChIKeyOEMAEYVEJVGMDH-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.99
Rot. Bonds6

About N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide

N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide (PubChem CID 62010049) has the molecular formula C8H18F2N2O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide
PubChem CID62010049
Molecular FormulaC8H18F2N2O2S
Molecular Weight244.31 g/mol
Exact Mass244.11
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCN(C(C)(CC)CN)S(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-4-8(3,6-11)12(5-2)15(13,14)7(9)10/h7H,4-6,11H2,1-3H3
InChIKeyOEMAEYVEJVGMDH-UHFFFAOYSA-N
XLogP0.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide (CID 62010049) is N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide is CCN(C(C)(CC)CN)S(=O)(=O)C(F)F.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide?
The InChIKey is OEMAEYVEJVGMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O2S/c1-4-8(3,6-11)12(5-2)15(13,14)7(9)10/h7H,4-6,11H2,1-3H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide?
N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide has a molecular weight of 244.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 62010049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).