N,N-bis(3-trimethoxysilylpropyl)methanesulfonamide

C13H33NO8SSi2 — CID 158985116

IUPACN,N-bis(3-trimethoxysilylpropyl)methanesulfonamide
SMILESCO[Si](CCCN(CCC[Si](OC)(OC)OC)S(C)(=O)=O)(OC)OC
InChIInChI=1S/C13H33NO8SSi2/c1-17-24(18-2,19-3)12-8-10-14(23(7,15)16)11-9-13-25(20-4,21-5)22-6/h8-13H2,1-7H3
InChIKeyFDUXXIIEBMFGRL-UHFFFAOYSA-N
MW419.65 g/mol
LogP0.78
Rot. Bonds15

About N,N-bis(3-trimethoxysilylpropyl)methanesulfonamide

N,N-bis(3-trimethoxysilylpropyl)methanesulfonamide (PubChem CID 158985116) has the molecular formula C13H33NO8SSi2 and a molecular weight of 419.65 g/mol. Its IUPAC name is N,N-bis(3-trimethoxysilylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN,N-bis(3-trimethoxysilylpropyl)methanesulfonamide
PubChem CID158985116
Molecular FormulaC13H33NO8SSi2
Molecular Weight419.65 g/mol
Exact Mass419.15
IUPAC NameN,N-bis(3-trimethoxysilylpropyl)methanesulfonamide
SMILESCO[Si](CCCN(CCC[Si](OC)(OC)OC)S(C)(=O)=O)(OC)OC
InChIInChI=1S/C13H33NO8SSi2/c1-17-24(18-2,19-3)12-8-10-14(23(7,15)16)11-9-13-25(20-4,21-5)22-6/h8-13H2,1-7H3
InChIKeyFDUXXIIEBMFGRL-UHFFFAOYSA-N
XLogP0.78
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.65
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-trimethoxysilylpropyl)methanesulfonamide?
The IUPAC name of N,N-bis(3-trimethoxysilylpropyl)methanesulfonamide (CID 158985116) is N,N-bis(3-trimethoxysilylpropyl)methanesulfonamide.
What is the SMILES notation for N,N-bis(3-trimethoxysilylpropyl)methanesulfonamide?
The canonical SMILES for N,N-bis(3-trimethoxysilylpropyl)methanesulfonamide is CO[Si](CCCN(CCC[Si](OC)(OC)OC)S(C)(=O)=O)(OC)OC.
What is the InChIKey of N,N-bis(3-trimethoxysilylpropyl)methanesulfonamide?
The InChIKey is FDUXXIIEBMFGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H33NO8SSi2/c1-17-24(18-2,19-3)12-8-10-14(23(7,15)16)11-9-13-25(20-4,21-5)22-6/h8-13H2,1-7H3.
What are the key properties of N,N-bis(3-trimethoxysilylpropyl)methanesulfonamide?
N,N-bis(3-trimethoxysilylpropyl)methanesulfonamide has a molecular weight of 419.65 g/mol, XLogP of 0.78, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-trimethoxysilylpropyl)methanesulfonamide is sourced from PubChem (CID 158985116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).