N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide

C7H16F2N2O2S — CID 62010046

IUPACN-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide
SMILESCCC(C)(CN)N(C)S(=O)(=O)C(F)F
InChIInChI=1S/C7H16F2N2O2S/c1-4-7(2,5-10)11(3)14(12,13)6(8)9/h6H,4-5,10H2,1-3H3
InChIKeyGWEURDLRVJAWKC-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.60
Rot. Bonds5

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

N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide (PubChem CID 62010046) has the molecular formula C7H16F2N2O2S and a molecular weight of 230.28 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide
PubChem CID62010046
Molecular FormulaC7H16F2N2O2S
Molecular Weight230.28 g/mol
Exact Mass230.09
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide
SMILESCCC(C)(CN)N(C)S(=O)(=O)C(F)F
InChIInChI=1S/C7H16F2N2O2S/c1-4-7(2,5-10)11(3)14(12,13)6(8)9/h6H,4-5,10H2,1-3H3
InChIKeyGWEURDLRVJAWKC-UHFFFAOYSA-N
XLogP0.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.60
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)-1,1-difluoro-N-methylmethanesulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide (CID 62010046) is N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide is CCC(C)(CN)N(C)S(=O)(=O)C(F)F.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide?
The InChIKey is GWEURDLRVJAWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O2S/c1-4-7(2,5-10)11(3)14(12,13)6(8)9/h6H,4-5,10H2,1-3H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide?
N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide has a molecular weight of 230.28 g/mol, XLogP of 0.60, 5 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)-1,1-difluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 62010046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).