N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide

C7H9F9N2O2S — CID 86649493

IUPACN-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
SMILESCN(CCN)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F9N2O2S/c1-18(3-2-17)21(19,20)7(15,16)5(10,11)4(8,9)6(12,13)14/h2-3,17H2,1H3
InChIKeyAITGNBIDZSPQEO-UHFFFAOYSA-N
MW356.21 g/mol
LogP1.63
Rot. Bonds6

About N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide

N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide (PubChem CID 86649493) has the molecular formula C7H9F9N2O2S and a molecular weight of 356.21 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
PubChem CID86649493
Molecular FormulaC7H9F9N2O2S
Molecular Weight356.21 g/mol
Exact Mass356.02
IUPAC NameN-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
SMILESCN(CCN)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H9F9N2O2S/c1-18(3-2-17)21(19,20)7(15,16)5(10,11)4(8,9)6(12,13)14/h2-3,17H2,1H3
InChIKeyAITGNBIDZSPQEO-UHFFFAOYSA-N
XLogP1.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide (CID 86649493) is N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide is CN(CCN)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide?
The InChIKey is AITGNBIDZSPQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F9N2O2S/c1-18(3-2-17)21(19,20)7(15,16)5(10,11)4(8,9)6(12,13)14/h2-3,17H2,1H3.
What are the key properties of N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide?
N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide has a molecular weight of 356.21 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 86649493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).