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

C6H14F2N2O2S — CID 61135208

IUPACN-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)C(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-3-6(2,4-9)10-13(11,12)5(7)8/h5,10H,3-4,9H2,1-2H3
InChIKeyMJEHSJHHBMHOGD-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.26
Rot. Bonds5

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

N-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide (PubChem CID 61135208) has the molecular formula C6H14F2N2O2S and a molecular weight of 216.25 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide
PubChem CID61135208
Molecular FormulaC6H14F2N2O2S
Molecular Weight216.25 g/mol
Exact Mass216.07
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)C(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-3-6(2,4-9)10-13(11,12)5(7)8/h5,10H,3-4,9H2,1-2H3
InChIKeyMJEHSJHHBMHOGD-UHFFFAOYSA-N
XLogP0.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-Trifluoro-N-(2-methylbutyl)methanesulfonamide
CID 72183447
N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 56992749
1,1,1-Trifluoro-N-isopentylmethanesulfonamide
CID 118301710
N-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide
CID 118692691
N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide
CID 61122982
N-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide
CID 61124154
N-(1-amino-2-methylpropan-2-yl)-1,1-difluoromethanesulfonamide
CID 61124180
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide
CID 61124575
N-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide
CID 61133408
N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide
CID 62010046
N-(1-amino-2-methylpropan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide
CID 62010445
N-(4-aminobutan-2-yl)-1,1-difluoromethanesulfonamide
CID 62094398

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide (CID 61135208) is N-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide is CCC(C)(CN)NS(=O)(=O)C(F)F.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide?
The InChIKey is MJEHSJHHBMHOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2N2O2S/c1-3-6(2,4-9)10-13(11,12)5(7)8/h5,10H,3-4,9H2,1-2H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide?
N-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide has a molecular weight of 216.25 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61135208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).