N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine

C6H13F2NO2S — CID 64629394

IUPACN-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCC(F)F
InChIInChI=1S/C6H13F2NO2S/c1-5(4-12(2,10)11)9-3-6(7)8/h5-6,9H,3-4H2,1-2H3
InChIKeySMJBZEYGKAGRSZ-UHFFFAOYSA-N
MW201.24 g/mol
LogP0.27
Rot. Bonds5

About N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine

N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine (PubChem CID 64629394) has the molecular formula C6H13F2NO2S and a molecular weight of 201.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine
PubChem CID64629394
Molecular FormulaC6H13F2NO2S
Molecular Weight201.24 g/mol
Exact Mass201.06
IUPAC NameN-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCC(F)F
InChIInChI=1S/C6H13F2NO2S/c1-5(4-12(2,10)11)9-3-6(7)8/h5-6,9H,3-4H2,1-2H3
InChIKeySMJBZEYGKAGRSZ-UHFFFAOYSA-N
XLogP0.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine (CID 64629394) is N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine?
The InChIKey is SMJBZEYGKAGRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO2S/c1-5(4-12(2,10)11)9-3-6(7)8/h5-6,9H,3-4H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine?
N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine has a molecular weight of 201.24 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 64629394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).