N-[3-(2,2-difluoroethylamino)propyl]methanesulfonamide

C6H14F2N2O2S — CID 106336558

IUPACN-[3-(2,2-difluoroethylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCC(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-13(11,12)10-4-2-3-9-5-6(7)8/h6,9-10H,2-5H2,1H3
InChIKeyFQYCGLXFQULGEJ-UHFFFAOYSA-N
MW216.25 g/mol
LogP-0.22
Rot. Bonds7

About N-[3-(2,2-difluoroethylamino)propyl]methanesulfonamide

N-[3-(2,2-difluoroethylamino)propyl]methanesulfonamide (PubChem CID 106336558) has the molecular formula C6H14F2N2O2S and a molecular weight of 216.25 g/mol. Its IUPAC name is N-[3-(2,2-difluoroethylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,2-difluoroethylamino)propyl]methanesulfonamide
PubChem CID106336558
Molecular FormulaC6H14F2N2O2S
Molecular Weight216.25 g/mol
Exact Mass216.07
IUPAC NameN-[3-(2,2-difluoroethylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCC(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-13(11,12)10-4-2-3-9-5-6(7)8/h6,9-10H,2-5H2,1H3
InChIKeyFQYCGLXFQULGEJ-UHFFFAOYSA-N
XLogP-0.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 5-0.22
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-difluoroethylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(2,2-difluoroethylamino)propyl]methanesulfonamide (CID 106336558) is N-[3-(2,2-difluoroethylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2,2-difluoroethylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(2,2-difluoroethylamino)propyl]methanesulfonamide is CS(=O)(=O)NCCCNCC(F)F.
What is the InChIKey of N-[3-(2,2-difluoroethylamino)propyl]methanesulfonamide?
The InChIKey is FQYCGLXFQULGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2N2O2S/c1-13(11,12)10-4-2-3-9-5-6(7)8/h6,9-10H,2-5H2,1H3.
What are the key properties of N-[3-(2,2-difluoroethylamino)propyl]methanesulfonamide?
N-[3-(2,2-difluoroethylamino)propyl]methanesulfonamide has a molecular weight of 216.25 g/mol, XLogP of -0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-difluoroethylamino)propyl]methanesulfonamide is sourced from PubChem (CID 106336558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).