N,N-bis(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C8H12F9N3O2S — CID 88541320

IUPACN,N-bis(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESNCCN(CCN)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F9N3O2S/c9-5(10,7(13,14)15)6(11,12)8(16,17)23(21,22)20(3-1-18)4-2-19/h1-4,18-19H2
InChIKeyJKBAJYPJVWKACZ-UHFFFAOYSA-N
MW385.25 g/mol
LogP0.96
Rot. Bonds8

About N,N-bis(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

N,N-bis(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 88541320) has the molecular formula C8H12F9N3O2S and a molecular weight of 385.25 g/mol. Its IUPAC name is N,N-bis(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID88541320
Molecular FormulaC8H12F9N3O2S
Molecular Weight385.25 g/mol
Exact Mass385.05
IUPAC NameN,N-bis(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESNCCN(CCN)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F9N3O2S/c9-5(10,7(13,14)15)6(11,12)8(16,17)23(21,22)20(3-1-18)4-2-19/h1-4,18-19H2
InChIKeyJKBAJYPJVWKACZ-UHFFFAOYSA-N
XLogP0.96
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-bis(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of N,N-bis(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 88541320) is N,N-bis(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for N,N-bis(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for N,N-bis(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is NCCN(CCN)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-bis(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is JKBAJYPJVWKACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F9N3O2S/c9-5(10,7(13,14)15)6(11,12)8(16,17)23(21,22)20(3-1-18)4-2-19/h1-4,18-19H2.
What are the key properties of N,N-bis(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
N,N-bis(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 385.25 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 88541320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).