N-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide

C8H16F2N2O3S — CID 114383819

IUPACN-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)NCC(F)(F)CN)S(C)(=O)=O
InChIInChI=1S/C8H16F2N2O3S/c1-7(2,16(3,14)15)6(13)12-5-8(9,10)4-11/h4-5,11H2,1-3H3,(H,12,13)
InChIKeyIAFSLDNHIUYYNB-UHFFFAOYSA-N
MW258.29 g/mol
LogP-0.48
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide

N-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide (PubChem CID 114383819) has the molecular formula C8H16F2N2O3S and a molecular weight of 258.29 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide
PubChem CID114383819
Molecular FormulaC8H16F2N2O3S
Molecular Weight258.29 g/mol
Exact Mass258.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)NCC(F)(F)CN)S(C)(=O)=O
InChIInChI=1S/C8H16F2N2O3S/c1-7(2,16(3,14)15)6(13)12-5-8(9,10)4-11/h4-5,11H2,1-3H3,(H,12,13)
InChIKeyIAFSLDNHIUYYNB-UHFFFAOYSA-N
XLogP-0.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-(2-methyl-2-methylsulfonylbutyl)acetamide
CID 117953814
3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide
CID 134298731
3-[Dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azaniumyl]propane-1-sulfonate
CID 140799704
3-[Dimethyl-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]azaniumyl]propane-1-sulfonate
CID 140799740
N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide
CID 142294702
ethane;N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide;N-ethyl-2-methylsulfonylacetamide
CID 144297377
N-(3,3,3-trifluoro-2-methylsulfonylpropyl)acetamide
CID 155154965
ethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide
CID 155701897
N-ethyl-3-(3,3,3-trifluoropropylsulfamoyl)propanamide
CID 156248314
3-[dimethyl-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]azaniumyl]propane-1-sulfonate;1-fluoro-N,N-dimethylmethanamine
CID 160823634
2-methyl-N-(3,3,3-trifluoro-2-methylsulfonylpropyl)propanamide
CID 164739924
2-methyl-N-(4,4,4-trifluoro-3-methylsulfonylbutyl)propanamide
CID 167018805

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide (CID 114383819) is N-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide is CC(C)(C(=O)NCC(F)(F)CN)S(C)(=O)=O.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is IAFSLDNHIUYYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O3S/c1-7(2,16(3,14)15)6(13)12-5-8(9,10)4-11/h4-5,11H2,1-3H3,(H,12,13).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide?
N-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 258.29 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 114383819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).