2,2-difluoro-N-[3-(methanesulfonamido)propyl]acetamide

C6H12F2N2O3S — CID 107167631

IUPAC2,2-difluoro-N-[3-(methanesulfonamido)propyl]acetamide
SMILESCS(=O)(=O)NCCCNC(=O)C(F)F
InChIInChI=1S/C6H12F2N2O3S/c1-14(12,13)10-4-2-3-9-6(11)5(7)8/h5,10H,2-4H2,1H3,(H,9,11)
InChIKeyMSAIDIMEPPBADH-UHFFFAOYSA-N
MW230.24 g/mol
LogP-0.69
Rot. Bonds6

About 2,2-difluoro-N-[3-(methanesulfonamido)propyl]acetamide

2,2-difluoro-N-[3-(methanesulfonamido)propyl]acetamide (PubChem CID 107167631) has the molecular formula C6H12F2N2O3S and a molecular weight of 230.24 g/mol. Its IUPAC name is 2,2-difluoro-N-[3-(methanesulfonamido)propyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[3-(methanesulfonamido)propyl]acetamide
PubChem CID107167631
Molecular FormulaC6H12F2N2O3S
Molecular Weight230.24 g/mol
Exact Mass230.05
IUPAC Name2,2-difluoro-N-[3-(methanesulfonamido)propyl]acetamide
SMILESCS(=O)(=O)NCCCNC(=O)C(F)F
InChIInChI=1S/C6H12F2N2O3S/c1-14(12,13)10-4-2-3-9-6(11)5(7)8/h5,10H,2-4H2,1H3,(H,9,11)
InChIKeyMSAIDIMEPPBADH-UHFFFAOYSA-N
XLogP-0.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(methylsulfonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 71785531
1,1-Difluoro-2-oxo-2-(propylamino)ethanesulfonate
CID 59349884
Methanesulfonic acid 3-(2,2,2-trifluoroacetylamino)-propyl ester
CID 86585100
N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
CID 89425423
Dimethyl-(sulfomethyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium
CID 130266835
3-[Dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azaniumyl]propane-1-sulfonate
CID 140799704
[Dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azaniumyl]methanesulfonate
CID 140799779
3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide
CID 154028139
N-ethyl-3-(3,3,3-trifluoropropylsulfamoyl)propanamide
CID 156248314
N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide
CID 164729663
N-(2,2-difluoroethyl)-3-[ethyl(sulfamoyl)amino]propanamide
CID 167049419
N-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide
CID 51082889

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[3-(methanesulfonamido)propyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[3-(methanesulfonamido)propyl]acetamide (CID 107167631) is 2,2-difluoro-N-[3-(methanesulfonamido)propyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[3-(methanesulfonamido)propyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[3-(methanesulfonamido)propyl]acetamide is CS(=O)(=O)NCCCNC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[3-(methanesulfonamido)propyl]acetamide?
The InChIKey is MSAIDIMEPPBADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O3S/c1-14(12,13)10-4-2-3-9-6(11)5(7)8/h5,10H,2-4H2,1H3,(H,9,11).
What are the key properties of 2,2-difluoro-N-[3-(methanesulfonamido)propyl]acetamide?
2,2-difluoro-N-[3-(methanesulfonamido)propyl]acetamide has a molecular weight of 230.24 g/mol, XLogP of -0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[3-(methanesulfonamido)propyl]acetamide is sourced from PubChem (CID 107167631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).