trimethyl-[3-[(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]propyl]azanium

C11H23F4N2O2S+ — CID 87159183

IUPACtrimethyl-[3-[(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]propyl]azanium
SMILESCC(F)(CCS(=O)(=O)NCCC[N+](C)(C)C)C(F)(F)F
InChIInChI=1S/C11H23F4N2O2S/c1-10(12,11(13,14)15)6-9-20(18,19)16-7-5-8-17(2,3)4/h16H,5-9H2,1-4H3/q+1
InChIKeyUIYYVOXTYNFJLQ-UHFFFAOYSA-N
MW323.38 g/mol
LogP1.68
Rot. Bonds8

About trimethyl-[3-[(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]propyl]azanium

trimethyl-[3-[(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]propyl]azanium (PubChem CID 87159183) has the molecular formula C11H23F4N2O2S+ and a molecular weight of 323.38 g/mol. Its IUPAC name is trimethyl-[3-[(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[3-[(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]propyl]azanium
PubChem CID87159183
Molecular FormulaC11H23F4N2O2S+
Molecular Weight323.38 g/mol
Exact Mass323.14
IUPAC Nametrimethyl-[3-[(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]propyl]azanium
SMILESCC(F)(CCS(=O)(=O)NCCC[N+](C)(C)C)C(F)(F)F
InChIInChI=1S/C11H23F4N2O2S/c1-10(12,11(13,14)15)6-9-20(18,19)16-7-5-8-17(2,3)4/h16H,5-9H2,1-4H3/q+1
InChIKeyUIYYVOXTYNFJLQ-UHFFFAOYSA-N
XLogP1.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_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 trimethyl-[3-[(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]propyl]azanium?
The IUPAC name of trimethyl-[3-[(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]propyl]azanium (CID 87159183) is trimethyl-[3-[(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]propyl]azanium.
What is the SMILES notation for trimethyl-[3-[(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]propyl]azanium?
The canonical SMILES for trimethyl-[3-[(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]propyl]azanium is CC(F)(CCS(=O)(=O)NCCC[N+](C)(C)C)C(F)(F)F.
What is the InChIKey of trimethyl-[3-[(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]propyl]azanium?
The InChIKey is UIYYVOXTYNFJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F4N2O2S/c1-10(12,11(13,14)15)6-9-20(18,19)16-7-5-8-17(2,3)4/h16H,5-9H2,1-4H3/q+1.
What are the key properties of trimethyl-[3-[(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]propyl]azanium?
trimethyl-[3-[(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]propyl]azanium has a molecular weight of 323.38 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]propyl]azanium is sourced from PubChem (CID 87159183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).