dimethyl-[2-[methyl(methylsulfonyl)amino]ethyl]-(3-trimethoxysilylpropyl)azanium chloride

C12H31ClN2O5SSi — CID 158314032

IUPACdimethyl-[2-[methyl(methylsulfonyl)amino]ethyl]-(3-trimethoxysilylpropyl)azanium chloride
SMILESCO[Si](CCC[N+](C)(C)CCN(C)S(C)(=O)=O)(OC)OC.[Cl-]
InChIInChI=1S/C12H31N2O5SSi.ClH/c1-13(20(7,15)16)9-11-14(2,3)10-8-12-21(17-4,18-5)19-6;/h8-12H2,1-7H3;1H/q+1;/p-1
InChIKeyQQEHUBFHSOEFRA-UHFFFAOYSA-M
MW379.00 g/mol
LogP-2.77
Rot. Bonds11

About dimethyl-[2-[methyl(methylsulfonyl)amino]ethyl]-(3-trimethoxysilylpropyl)azanium chloride

dimethyl-[2-[methyl(methylsulfonyl)amino]ethyl]-(3-trimethoxysilylpropyl)azanium chloride (PubChem CID 158314032) has the molecular formula C12H31ClN2O5SSi and a molecular weight of 379.00 g/mol. Its IUPAC name is dimethyl-[2-[methyl(methylsulfonyl)amino]ethyl]-(3-trimethoxysilylpropyl)azanium chloride.

Molecular Properties

Compound Namedimethyl-[2-[methyl(methylsulfonyl)amino]ethyl]-(3-trimethoxysilylpropyl)azanium chloride
PubChem CID158314032
Molecular FormulaC12H31ClN2O5SSi
Molecular Weight379.00 g/mol
Exact Mass378.14
IUPAC Namedimethyl-[2-[methyl(methylsulfonyl)amino]ethyl]-(3-trimethoxysilylpropyl)azanium chloride
SMILESCO[Si](CCC[N+](C)(C)CCN(C)S(C)(=O)=O)(OC)OC.[Cl-]
InChIInChI=1S/C12H31N2O5SSi.ClH/c1-13(20(7,15)16)9-11-14(2,3)10-8-12-21(17-4,18-5)19-6;/h8-12H2,1-7H3;1H/q+1;/p-1
InChIKeyQQEHUBFHSOEFRA-UHFFFAOYSA-M
XLogP-2.77
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.00
LogP ≤ 5-2.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[methyl(methylsulfonyl)amino]ethyl]-(3-trimethoxysilylpropyl)azanium chloride?
The IUPAC name of dimethyl-[2-[methyl(methylsulfonyl)amino]ethyl]-(3-trimethoxysilylpropyl)azanium chloride (CID 158314032) is dimethyl-[2-[methyl(methylsulfonyl)amino]ethyl]-(3-trimethoxysilylpropyl)azanium chloride.
What is the SMILES notation for dimethyl-[2-[methyl(methylsulfonyl)amino]ethyl]-(3-trimethoxysilylpropyl)azanium chloride?
The canonical SMILES for dimethyl-[2-[methyl(methylsulfonyl)amino]ethyl]-(3-trimethoxysilylpropyl)azanium chloride is CO[Si](CCC[N+](C)(C)CCN(C)S(C)(=O)=O)(OC)OC.[Cl-].
What is the InChIKey of dimethyl-[2-[methyl(methylsulfonyl)amino]ethyl]-(3-trimethoxysilylpropyl)azanium chloride?
The InChIKey is QQEHUBFHSOEFRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H31N2O5SSi.ClH/c1-13(20(7,15)16)9-11-14(2,3)10-8-12-21(17-4,18-5)19-6;/h8-12H2,1-7H3;1H/q+1;/p-1.
What are the key properties of dimethyl-[2-[methyl(methylsulfonyl)amino]ethyl]-(3-trimethoxysilylpropyl)azanium chloride?
dimethyl-[2-[methyl(methylsulfonyl)amino]ethyl]-(3-trimethoxysilylpropyl)azanium chloride has a molecular weight of 379.00 g/mol, XLogP of -2.77, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[methyl(methylsulfonyl)amino]ethyl]-(3-trimethoxysilylpropyl)azanium chloride is sourced from PubChem (CID 158314032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).