triethyl(2-sulfoethyl)azanium

C8H20NO3S+ — CID 4188135

IUPACtriethyl(2-sulfoethyl)azanium
SMILESCC[N+](CC)(CC)CCS(=O)(=O)O
InChIInChI=1S/C8H19NO3S/c1-4-9(5-2,6-3)7-8-13(10,11)12/h4-8H2,1-3H3/p+1
InChIKeyFSBKBPNHVHWRBJ-UHFFFAOYSA-O
MW210.32 g/mol
LogP0.75
Rot. Bonds6

About triethyl(2-sulfoethyl)azanium

triethyl(2-sulfoethyl)azanium (PubChem CID 4188135) has the molecular formula C8H20NO3S+ and a molecular weight of 210.32 g/mol. Its IUPAC name is triethyl(2-sulfoethyl)azanium.

Molecular Properties

Compound Nametriethyl(2-sulfoethyl)azanium
PubChem CID4188135
Molecular FormulaC8H20NO3S+
Molecular Weight210.32 g/mol
Exact Mass210.12
IUPAC Nametriethyl(2-sulfoethyl)azanium
SMILESCC[N+](CC)(CC)CCS(=O)(=O)O
InChIInChI=1S/C8H19NO3S/c1-4-9(5-2,6-3)7-8-13(10,11)12/h4-8H2,1-3H3/p+1
InChIKeyFSBKBPNHVHWRBJ-UHFFFAOYSA-O
XLogP0.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl(2-sulfoethyl)azanium?
The IUPAC name of triethyl(2-sulfoethyl)azanium (CID 4188135) is triethyl(2-sulfoethyl)azanium.
What is the SMILES notation for triethyl(2-sulfoethyl)azanium?
The canonical SMILES for triethyl(2-sulfoethyl)azanium is CC[N+](CC)(CC)CCS(=O)(=O)O.
What is the InChIKey of triethyl(2-sulfoethyl)azanium?
The InChIKey is FSBKBPNHVHWRBJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19NO3S/c1-4-9(5-2,6-3)7-8-13(10,11)12/h4-8H2,1-3H3/p+1.
What are the key properties of triethyl(2-sulfoethyl)azanium?
triethyl(2-sulfoethyl)azanium has a molecular weight of 210.32 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(2-sulfoethyl)azanium is sourced from PubChem (CID 4188135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).