3-[methyl(3-trihydroxysilylpropyl)amino]propane-1-sulfonate

C7H18NO6SSi- — CID 162475010

IUPAC3-[methyl(3-trihydroxysilylpropyl)amino]propane-1-sulfonate
SMILESCN(CCC[Si](O)(O)O)CCCS(=O)(=O)[O-]
InChIInChI=1S/C7H19NO6SSi/c1-8(4-2-6-15(9,10)11)5-3-7-16(12,13)14/h12-14H,2-7H2,1H3,(H,9,10,11)/p-1
InChIKeyHZCBQEZZLBVNCA-UHFFFAOYSA-M
MW272.37 g/mol
LogP-1.84
Rot. Bonds8

About 3-[methyl(3-trihydroxysilylpropyl)amino]propane-1-sulfonate

3-[methyl(3-trihydroxysilylpropyl)amino]propane-1-sulfonate (PubChem CID 162475010) has the molecular formula C7H18NO6SSi- and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-[methyl(3-trihydroxysilylpropyl)amino]propane-1-sulfonate.

Molecular Properties

Compound Name3-[methyl(3-trihydroxysilylpropyl)amino]propane-1-sulfonate
PubChem CID162475010
Molecular FormulaC7H18NO6SSi-
Molecular Weight272.37 g/mol
Exact Mass272.06
IUPAC Name3-[methyl(3-trihydroxysilylpropyl)amino]propane-1-sulfonate
SMILESCN(CCC[Si](O)(O)O)CCCS(=O)(=O)[O-]
InChIInChI=1S/C7H19NO6SSi/c1-8(4-2-6-15(9,10)11)5-3-7-16(12,13)14/h12-14H,2-7H2,1H3,(H,9,10,11)/p-1
InChIKeyHZCBQEZZLBVNCA-UHFFFAOYSA-M
XLogP-1.84
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

sodium 3-(dimethylamino)propane-1-sulfonate
CID 23703542
3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid
CID 46830547
sodium 2-[methyl(octadecyl)amino]ethanesulfonate
CID 87283536
sodium 3-[acetyl(hydroxy)amino]propane-1-sulfonate
CID 56677107
silver;sodium;bis(2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate)
CID 159978293
sodium 2-(dimethylamino)ethanesulfonate
CID 23516383
3-[methyl(pentyl)amino]propane-1-sulfonic acid
CID 90277670
propane-1,3-disulfonate;silver
CID 87079724
undecane-1,11-disulfonate
CID 23618255
3-[cyclohexyl(methyl)amino]propane-1-sulfonate
CID 153294171
potassium 3-[methyl(tetracosanoyl)amino]propane-1-sulfonate
CID 101283795
calcium bis(3-[methyl(tetracosanoyl)amino]propane-1-sulfonate)
CID 101283796

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3-trihydroxysilylpropyl)amino]propane-1-sulfonate?
The IUPAC name of 3-[methyl(3-trihydroxysilylpropyl)amino]propane-1-sulfonate (CID 162475010) is 3-[methyl(3-trihydroxysilylpropyl)amino]propane-1-sulfonate.
What is the SMILES notation for 3-[methyl(3-trihydroxysilylpropyl)amino]propane-1-sulfonate?
The canonical SMILES for 3-[methyl(3-trihydroxysilylpropyl)amino]propane-1-sulfonate is CN(CCC[Si](O)(O)O)CCCS(=O)(=O)[O-].
What is the InChIKey of 3-[methyl(3-trihydroxysilylpropyl)amino]propane-1-sulfonate?
The InChIKey is HZCBQEZZLBVNCA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H19NO6SSi/c1-8(4-2-6-15(9,10)11)5-3-7-16(12,13)14/h12-14H,2-7H2,1H3,(H,9,10,11)/p-1.
What are the key properties of 3-[methyl(3-trihydroxysilylpropyl)amino]propane-1-sulfonate?
3-[methyl(3-trihydroxysilylpropyl)amino]propane-1-sulfonate has a molecular weight of 272.37 g/mol, XLogP of -1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3-trihydroxysilylpropyl)amino]propane-1-sulfonate is sourced from PubChem (CID 162475010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).