N-[3-(dimethylamino)propyl]-1,1,2,2,2-pentafluoroethanesulfonamide

C7H13F5N2O2S — CID 163324129

IUPACN-[3-(dimethylamino)propyl]-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESCN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H13F5N2O2S/c1-14(2)5-3-4-13-17(15,16)7(11,12)6(8,9)10/h13H,3-5H2,1-2H3
InChIKeyNUDDWLRMCQRPJR-UHFFFAOYSA-N
MW284.25 g/mol
LogP1.01
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-1,1,2,2,2-pentafluoroethanesulfonamide

N-[3-(dimethylamino)propyl]-1,1,2,2,2-pentafluoroethanesulfonamide (PubChem CID 163324129) has the molecular formula C7H13F5N2O2S and a molecular weight of 284.25 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1,1,2,2,2-pentafluoroethanesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1,1,2,2,2-pentafluoroethanesulfonamide
PubChem CID163324129
Molecular FormulaC7H13F5N2O2S
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC NameN-[3-(dimethylamino)propyl]-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESCN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H13F5N2O2S/c1-14(2)5-3-4-13-17(15,16)7(11,12)6(8,9)10/h13H,3-5H2,1-2H3
InChIKeyNUDDWLRMCQRPJR-UHFFFAOYSA-N
XLogP1.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1,1,2,2,2-pentafluoroethanesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1,1,2,2,2-pentafluoroethanesulfonamide (CID 163324129) is N-[3-(dimethylamino)propyl]-1,1,2,2,2-pentafluoroethanesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1,1,2,2,2-pentafluoroethanesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1,1,2,2,2-pentafluoroethanesulfonamide is CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1,1,2,2,2-pentafluoroethanesulfonamide?
The InChIKey is NUDDWLRMCQRPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F5N2O2S/c1-14(2)5-3-4-13-17(15,16)7(11,12)6(8,9)10/h13H,3-5H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-1,1,2,2,2-pentafluoroethanesulfonamide?
N-[3-(dimethylamino)propyl]-1,1,2,2,2-pentafluoroethanesulfonamide has a molecular weight of 284.25 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1,1,2,2,2-pentafluoroethanesulfonamide is sourced from PubChem (CID 163324129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).