N-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide

C4H10F2N2O2S — CID 61124154

IUPACN-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide
SMILESCC(CN)NS(=O)(=O)C(F)F
InChIInChI=1S/C4H10F2N2O2S/c1-3(2-7)8-11(9,10)4(5)6/h3-4,8H,2,7H2,1H3
InChIKeyWIKFWZFDYLKHDO-UHFFFAOYSA-N
MW188.20 g/mol
LogP-0.52
Rot. Bonds4

About N-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide

N-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide (PubChem CID 61124154) has the molecular formula C4H10F2N2O2S and a molecular weight of 188.20 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide
PubChem CID61124154
Molecular FormulaC4H10F2N2O2S
Molecular Weight188.20 g/mol
Exact Mass188.04
IUPAC NameN-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide
SMILESCC(CN)NS(=O)(=O)C(F)F
InChIInChI=1S/C4H10F2N2O2S/c1-3(2-7)8-11(9,10)4(5)6/h3-4,8H,2,7H2,1H3
InChIKeyWIKFWZFDYLKHDO-UHFFFAOYSA-N
XLogP-0.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide
CID 119030899
1,1,1-trifluoro-N-pentan-3-ylmethanesulfonamide
CID 166445234
N-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
N-(2,2-difluoropropyl)methanesulfonamide
CID 18686371
n-(3,3-Difluoro-cyclobutyl)-methanesulfonamide
CID 22500956
Isopropyl(trifluoromethylsulfonyl)amine
CID 22908457
N-(2-aminoethyl)-1,1-difluoromethanesulfonamide
CID 28606994
1,1-difluoro-N-propylmethanesulfonamide
CID 43258994
N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 56992749
1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide
CID 58173846
2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide
CID 58525236

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide (CID 61124154) is N-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide is CC(CN)NS(=O)(=O)C(F)F.
What is the InChIKey of N-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide?
The InChIKey is WIKFWZFDYLKHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F2N2O2S/c1-3(2-7)8-11(9,10)4(5)6/h3-4,8H,2,7H2,1H3.
What are the key properties of N-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide?
N-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide has a molecular weight of 188.20 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61124154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).