N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)methanesulfonamide

C6H14F2N2O2S — CID 165447318

IUPACN-(4-amino-1,1-difluoro-2-methylbutan-2-yl)methanesulfonamide
SMILESCC(CCN)(NS(C)(=O)=O)C(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-6(3-4-9,5(7)8)10-13(2,11)12/h5,10H,3-4,9H2,1-2H3
InChIKeyWAVUOTHPDPSDAW-UHFFFAOYSA-N
MW216.25 g/mol
LogP-0.09
Rot. Bonds5

About N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)methanesulfonamide

N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)methanesulfonamide (PubChem CID 165447318) has the molecular formula C6H14F2N2O2S and a molecular weight of 216.25 g/mol. Its IUPAC name is N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-1,1-difluoro-2-methylbutan-2-yl)methanesulfonamide
PubChem CID165447318
Molecular FormulaC6H14F2N2O2S
Molecular Weight216.25 g/mol
Exact Mass216.07
IUPAC NameN-(4-amino-1,1-difluoro-2-methylbutan-2-yl)methanesulfonamide
SMILESCC(CCN)(NS(C)(=O)=O)C(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-6(3-4-9,5(7)8)10-13(2,11)12/h5,10H,3-4,9H2,1-2H3
InChIKeyWAVUOTHPDPSDAW-UHFFFAOYSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)methanesulfonamide?
The IUPAC name of N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)methanesulfonamide (CID 165447318) is N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)methanesulfonamide?
The canonical SMILES for N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)methanesulfonamide is CC(CCN)(NS(C)(=O)=O)C(F)F.
What is the InChIKey of N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)methanesulfonamide?
The InChIKey is WAVUOTHPDPSDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2N2O2S/c1-6(3-4-9,5(7)8)10-13(2,11)12/h5,10H,3-4,9H2,1-2H3.
What are the key properties of N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)methanesulfonamide?
N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)methanesulfonamide has a molecular weight of 216.25 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)methanesulfonamide is sourced from PubChem (CID 165447318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).