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

C7H14F2N2O3S — CID 114383450

IUPACN-(3-amino-2,2-difluoropropyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCC(F)(F)CN)S(C)(=O)=O
InChIInChI=1S/C7H14F2N2O3S/c1-5(15(2,13)14)6(12)11-4-7(8,9)3-10/h5H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyOWMNNIAZCXYIOA-UHFFFAOYSA-N
MW244.26 g/mol
LogP-0.87
Rot. Bonds5

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

N-(3-amino-2,2-difluoropropyl)-2-methylsulfonylpropanamide (PubChem CID 114383450) has the molecular formula C7H14F2N2O3S and a molecular weight of 244.26 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-methylsulfonylpropanamide
PubChem CID114383450
Molecular FormulaC7H14F2N2O3S
Molecular Weight244.26 g/mol
Exact Mass244.07
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCC(F)(F)CN)S(C)(=O)=O
InChIInChI=1S/C7H14F2N2O3S/c1-5(15(2,13)14)6(12)11-4-7(8,9)3-10/h5H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyOWMNNIAZCXYIOA-UHFFFAOYSA-N
XLogP-0.87
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2,2-Trifluoroethyl)carbamoyl]ethane-1-sulfonic acid
CID 134693296
2,2,2-trifluoro-N-(2-methanesulfonylethyl)acetamide
CID 22609710
Potassium 2-[methyl-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]amino]ethanesulfonate
CID 23563876
2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 24692832
(2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 28177537
2,2,2-trifluoro-N-(4-methylsulfonylbutyl)acetamide
CID 129217708
3-(3,3-difluorobutylsulfonyl)-N-ethylpropanamide
CID 134298731
N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide
CID 138560238
2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 138562483
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
4-[Dimethyl-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]azaniumyl]butane-1-sulfonate
CID 140799743

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-methylsulfonylpropanamide (CID 114383450) is N-(3-amino-2,2-difluoropropyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-methylsulfonylpropanamide is CC(C(=O)NCC(F)(F)CN)S(C)(=O)=O.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-methylsulfonylpropanamide?
The InChIKey is OWMNNIAZCXYIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O3S/c1-5(15(2,13)14)6(12)11-4-7(8,9)3-10/h5H,3-4,10H2,1-2H3,(H,11,12).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-methylsulfonylpropanamide?
N-(3-amino-2,2-difluoropropyl)-2-methylsulfonylpropanamide has a molecular weight of 244.26 g/mol, XLogP of -0.87, 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-methylsulfonylpropanamide is sourced from PubChem (CID 114383450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).