2-aminoethanesulfonic acid;tributyl(ethyl)phosphanium

C16H39NO3PS+ — CID 174873795

IUPAC2-aminoethanesulfonic acid;tributyl(ethyl)phosphanium
SMILESCCCC[P+](CC)(CCCC)CCCC.NCCS(=O)(=O)O
InChIInChI=1S/C14H32P.C2H7NO3S/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;3-1-2-7(4,5)6/h5-14H2,1-4H3;1-3H2,(H,4,5,6)/q+1;
InChIKeyOWMPSJGCHXVPNW-UHFFFAOYSA-N
MW356.53 g/mol
LogP4.26
Rot. Bonds12

About 2-aminoethanesulfonic acid;tributyl(ethyl)phosphanium

2-aminoethanesulfonic acid;tributyl(ethyl)phosphanium (PubChem CID 174873795) has the molecular formula C16H39NO3PS+ and a molecular weight of 356.53 g/mol. Its IUPAC name is 2-aminoethanesulfonic acid;tributyl(ethyl)phosphanium.

Molecular Properties

Compound Name2-aminoethanesulfonic acid;tributyl(ethyl)phosphanium
PubChem CID174873795
Molecular FormulaC16H39NO3PS+
Molecular Weight356.53 g/mol
Exact Mass356.24
IUPAC Name2-aminoethanesulfonic acid;tributyl(ethyl)phosphanium
SMILESCCCC[P+](CC)(CCCC)CCCC.NCCS(=O)(=O)O
InChIInChI=1S/C14H32P.C2H7NO3S/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;3-1-2-7(4,5)6/h5-14H2,1-4H3;1-3H2,(H,4,5,6)/q+1;
InChIKeyOWMPSJGCHXVPNW-UHFFFAOYSA-N
XLogP4.26
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butan-1-amine;butane-1-sulfonic acid
CID 159596824
trihexyl(3-sulfopropyl)phosphanium
CID 122201887
1-aminohexan-2-ol;propane-1-sulfonic acid
CID 175457204
2-aminoethanesulfonic acid;iron
CID 174379186
2-aminoethanesulfonic acid;λ2-plumbane
CID 173327992
tributyl(ethyl)phosphanium;yttrium
CID 157495061
Ethanesulfonic acid,2-amino-, sodium salt (1:1)
CID 53471337
propane-1,3-diamine;propane-1-sulfonic acid
CID 88791718
2-aminoethanesulfonic acid;deuterium monohydride
CID 175205944
strontium;2-aminoethanesulfonic acid;hydride
CID 174530602
4-aminobutane-1-sulfonic acid;butane
CID 172845680
potassium;2-aminoethanesulfonic acid;dodecanoate
CID 87320369

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanesulfonic acid;tributyl(ethyl)phosphanium?
The IUPAC name of 2-aminoethanesulfonic acid;tributyl(ethyl)phosphanium (CID 174873795) is 2-aminoethanesulfonic acid;tributyl(ethyl)phosphanium.
What is the SMILES notation for 2-aminoethanesulfonic acid;tributyl(ethyl)phosphanium?
The canonical SMILES for 2-aminoethanesulfonic acid;tributyl(ethyl)phosphanium is CCCC[P+](CC)(CCCC)CCCC.NCCS(=O)(=O)O.
What is the InChIKey of 2-aminoethanesulfonic acid;tributyl(ethyl)phosphanium?
The InChIKey is OWMPSJGCHXVPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32P.C2H7NO3S/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;3-1-2-7(4,5)6/h5-14H2,1-4H3;1-3H2,(H,4,5,6)/q+1;.
What are the key properties of 2-aminoethanesulfonic acid;tributyl(ethyl)phosphanium?
2-aminoethanesulfonic acid;tributyl(ethyl)phosphanium has a molecular weight of 356.53 g/mol, XLogP of 4.26, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanesulfonic acid;tributyl(ethyl)phosphanium is sourced from PubChem (CID 174873795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).