3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid

C10H25NO6SSi — CID 46830547

IUPAC3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid
SMILESCO[Si](CCCN(C)CCCS(=O)(=O)O)(OC)OC
InChIInChI=1S/C10H25NO6SSi/c1-11(7-5-9-18(12,13)14)8-6-10-19(15-2,16-3)17-4/h5-10H2,1-4H3,(H,12,13,14)
InChIKeyPFAREDCBFWUTIJ-UHFFFAOYSA-N
MW315.46 g/mol
LogP0.46
Rot. Bonds11

About 3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid

3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid (PubChem CID 46830547) has the molecular formula C10H25NO6SSi and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid.

Molecular Properties

Compound Name3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid
PubChem CID46830547
Molecular FormulaC10H25NO6SSi
Molecular Weight315.46 g/mol
Exact Mass315.12
IUPAC Name3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid
SMILESCO[Si](CCCN(C)CCCS(=O)(=O)O)(OC)OC
InChIInChI=1S/C10H25NO6SSi/c1-11(7-5-9-18(12,13)14)8-6-10-19(15-2,16-3)17-4/h5-10H2,1-4H3,(H,12,13,14)
InChIKeyPFAREDCBFWUTIJ-UHFFFAOYSA-N
XLogP0.46
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-[methyl(3-trimethoxysilylbutyl)amino]propane-1-sulfonic acid
CID 175585075
methane;tetramethyl silicate;3-trimethoxysilylpropane-1-sulfonic acid
CID 161452925
N-methylsulfonyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide
CID 139973982
3-[methyl(pentyl)amino]propane-1-sulfonic acid
CID 90277670
3-[6-hydroxyhexyl(methyl)amino]propane-1-sulfonic acid
CID 90429262
3-[methyl(octyl)amino]propane-1-sulfonic acid
CID 87820222
N',N'-diethyl-N-methyl-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 163209900
N-methyl-N-(3-trimethoxysilylpropyl)decan-1-amine;hydroiodide
CID 174161924
4-[ethyl(methyl)amino]butane-1-sulfonic acid
CID 54170447
3-[hydroxy(dimethoxy)silyl]propane-1-sulfonic acid
CID 140958060
3-[methyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]propane-1-sulfonic acid
CID 89470521
methyl(3-trimethoxysilylpropyl)carbamic acid
CID 71432003

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid?
The IUPAC name of 3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid (CID 46830547) is 3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid.
What is the SMILES notation for 3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid?
The canonical SMILES for 3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid is CO[Si](CCCN(C)CCCS(=O)(=O)O)(OC)OC.
What is the InChIKey of 3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid?
The InChIKey is PFAREDCBFWUTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25NO6SSi/c1-11(7-5-9-18(12,13)14)8-6-10-19(15-2,16-3)17-4/h5-10H2,1-4H3,(H,12,13,14).
What are the key properties of 3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid?
3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid has a molecular weight of 315.46 g/mol, XLogP of 0.46, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid is sourced from PubChem (CID 46830547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).