N,N-dimethyl-3-(1,1,2,2,2-pentafluoroethylsulfonylamino)propan-1-amine oxide

C7H13F5N2O3S — CID 130266611

IUPACN,N-dimethyl-3-(1,1,2,2,2-pentafluoroethylsulfonylamino)propan-1-amine oxide
SMILESC[N+](C)([O-])CCCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H13F5N2O3S/c1-14(2,15)5-3-4-13-18(16,17)7(11,12)6(8,9)10/h13H,3-5H2,1-2H3
InChIKeyCZTSZHRIAHHYHN-UHFFFAOYSA-N
MW300.25 g/mol
LogP1.03
Rot. Bonds6

About N,N-dimethyl-3-(1,1,2,2,2-pentafluoroethylsulfonylamino)propan-1-amine oxide

N,N-dimethyl-3-(1,1,2,2,2-pentafluoroethylsulfonylamino)propan-1-amine oxide (PubChem CID 130266611) has the molecular formula C7H13F5N2O3S and a molecular weight of 300.25 g/mol. Its IUPAC name is N,N-dimethyl-3-(1,1,2,2,2-pentafluoroethylsulfonylamino)propan-1-amine oxide.

Molecular Properties

Compound NameN,N-dimethyl-3-(1,1,2,2,2-pentafluoroethylsulfonylamino)propan-1-amine oxide
PubChem CID130266611
Molecular FormulaC7H13F5N2O3S
Molecular Weight300.25 g/mol
Exact Mass300.06
IUPAC NameN,N-dimethyl-3-(1,1,2,2,2-pentafluoroethylsulfonylamino)propan-1-amine oxide
SMILESC[N+](C)([O-])CCCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H13F5N2O3S/c1-14(2,15)5-3-4-13-18(16,17)7(11,12)6(8,9)10/h13H,3-5H2,1-2H3
InChIKeyCZTSZHRIAHHYHN-UHFFFAOYSA-N
XLogP1.03
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1,1,2,2,2-pentafluoroethylsulfonylamino)propan-1-amine oxide?
The IUPAC name of N,N-dimethyl-3-(1,1,2,2,2-pentafluoroethylsulfonylamino)propan-1-amine oxide (CID 130266611) is N,N-dimethyl-3-(1,1,2,2,2-pentafluoroethylsulfonylamino)propan-1-amine oxide.
What is the SMILES notation for N,N-dimethyl-3-(1,1,2,2,2-pentafluoroethylsulfonylamino)propan-1-amine oxide?
The canonical SMILES for N,N-dimethyl-3-(1,1,2,2,2-pentafluoroethylsulfonylamino)propan-1-amine oxide is C[N+](C)([O-])CCCNS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-3-(1,1,2,2,2-pentafluoroethylsulfonylamino)propan-1-amine oxide?
The InChIKey is CZTSZHRIAHHYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F5N2O3S/c1-14(2,15)5-3-4-13-18(16,17)7(11,12)6(8,9)10/h13H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(1,1,2,2,2-pentafluoroethylsulfonylamino)propan-1-amine oxide?
N,N-dimethyl-3-(1,1,2,2,2-pentafluoroethylsulfonylamino)propan-1-amine oxide has a molecular weight of 300.25 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1,1,2,2,2-pentafluoroethylsulfonylamino)propan-1-amine oxide is sourced from PubChem (CID 130266611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).