(1-amino-3-trimethoxysilylpropyl) ethanesulfonate

C8H21NO6SSi — CID 174735140

IUPAC(1-amino-3-trimethoxysilylpropyl) ethanesulfonate
SMILESCCS(=O)(=O)OC(N)CC[Si](OC)(OC)OC
InChIInChI=1S/C8H21NO6SSi/c1-5-16(10,11)15-8(9)6-7-17(12-2,13-3)14-4/h8H,5-7,9H2,1-4H3
InChIKeyVOTCDMSILSZVRO-UHFFFAOYSA-N
MW287.41 g/mol
LogP-0.09
Rot. Bonds9

About (1-amino-3-trimethoxysilylpropyl) ethanesulfonate

(1-amino-3-trimethoxysilylpropyl) ethanesulfonate (PubChem CID 174735140) has the molecular formula C8H21NO6SSi and a molecular weight of 287.41 g/mol. Its IUPAC name is (1-amino-3-trimethoxysilylpropyl) ethanesulfonate.

Molecular Properties

Compound Name(1-amino-3-trimethoxysilylpropyl) ethanesulfonate
PubChem CID174735140
Molecular FormulaC8H21NO6SSi
Molecular Weight287.41 g/mol
Exact Mass287.09
IUPAC Name(1-amino-3-trimethoxysilylpropyl) ethanesulfonate
SMILESCCS(=O)(=O)OC(N)CC[Si](OC)(OC)OC
InChIInChI=1S/C8H21NO6SSi/c1-5-16(10,11)15-8(9)6-7-17(12-2,13-3)14-4/h8H,5-7,9H2,1-4H3
InChIKeyVOTCDMSILSZVRO-UHFFFAOYSA-N
XLogP-0.09
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-amino-3-trimethoxysilylpropyl) ethanesulfonate?
The IUPAC name of (1-amino-3-trimethoxysilylpropyl) ethanesulfonate (CID 174735140) is (1-amino-3-trimethoxysilylpropyl) ethanesulfonate.
What is the SMILES notation for (1-amino-3-trimethoxysilylpropyl) ethanesulfonate?
The canonical SMILES for (1-amino-3-trimethoxysilylpropyl) ethanesulfonate is CCS(=O)(=O)OC(N)CC[Si](OC)(OC)OC.
What is the InChIKey of (1-amino-3-trimethoxysilylpropyl) ethanesulfonate?
The InChIKey is VOTCDMSILSZVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NO6SSi/c1-5-16(10,11)15-8(9)6-7-17(12-2,13-3)14-4/h8H,5-7,9H2,1-4H3.
What are the key properties of (1-amino-3-trimethoxysilylpropyl) ethanesulfonate?
(1-amino-3-trimethoxysilylpropyl) ethanesulfonate has a molecular weight of 287.41 g/mol, XLogP of -0.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-trimethoxysilylpropyl) ethanesulfonate is sourced from PubChem (CID 174735140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).