N,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-[dimethyl(3-trimethoxysilylpropyl)azaniumyl]propane-1-sulfonate;oxathiolane 2,2-dioxide;sulfanylideneborinothioic acid

C22H55BN2O12S4Si2 — CID 159953003

IUPACN,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-[dimethyl(3-trimethoxysilylpropyl)azaniumyl]propane-1-sulfonate;oxathiolane 2,2-dioxide;sulfanylideneborinothioic acid
SMILESCO[Si](CCCN(C)C)(OC)OC.CO[Si](CCC[N+](C)(C)CCCS(=O)(=O)[O-])(OC)OC.O=S1(=O)CCCO1.S=BS
InChIInChI=1S/C11H27NO6SSi.C8H21NO3Si.C3H6O3S.BHS2/c1-12(2,8-6-10-19(13,14)15)9-7-11-20(16-3,17-4)18-5;1-9(2)7-6-8-13(10-3,11-4)12-5;4-7(5)3-1-2-6-7;2-1-3/h6-11H2,1-5H3;6-8H2,1-5H3;1-3H2;2H
InChIKeyOCIUWIGGEKSMJQ-UHFFFAOYSA-N
MW734.94 g/mol
LogP1.47
Rot. Bonds18

About N,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-[dimethyl(3-trimethoxysilylpropyl)azaniumyl]propane-1-sulfonate;oxathiolane 2,2-dioxide;sulfanylideneborinothioic acid

N,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-[dimethyl(3-trimethoxysilylpropyl)azaniumyl]propane-1-sulfonate;oxathiolane 2,2-dioxide;sulfanylideneborinothioic acid (PubChem CID 159953003) has the molecular formula C22H55BN2O12S4Si2 and a molecular weight of 734.94 g/mol. Its IUPAC name is N,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-[dimethyl(3-trimethoxysilylpropyl)azaniumyl]propane-1-sulfonate;oxathiolane 2,2-dioxide;sulfanylideneborinothioic acid.

Molecular Properties

Compound NameN,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-[dimethyl(3-trimethoxysilylpropyl)azaniumyl]propane-1-sulfonate;oxathiolane 2,2-dioxide;sulfanylideneborinothioic acid
PubChem CID159953003
Molecular FormulaC22H55BN2O12S4Si2
Molecular Weight734.94 g/mol
Exact Mass734.23
IUPAC NameN,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-[dimethyl(3-trimethoxysilylpropyl)azaniumyl]propane-1-sulfonate;oxathiolane 2,2-dioxide;sulfanylideneborinothioic acid
SMILESCO[Si](CCCN(C)C)(OC)OC.CO[Si](CCC[N+](C)(C)CCCS(=O)(=O)[O-])(OC)OC.O=S1(=O)CCCO1.S=BS
InChIInChI=1S/C11H27NO6SSi.C8H21NO3Si.C3H6O3S.BHS2/c1-12(2,8-6-10-19(13,14)15)9-7-11-20(16-3,17-4)18-5;1-9(2)7-6-8-13(10-3,11-4)12-5;4-7(5)3-1-2-6-7;2-1-3/h6-11H2,1-5H3;6-8H2,1-5H3;1-3H2;2H
InChIKeyOCIUWIGGEKSMJQ-UHFFFAOYSA-N
XLogP1.47
TPSA159.19 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.94
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-[dimethyl(3-trimethoxysilylpropyl)azaniumyl]propane-1-sulfonate;oxathiolane 2,2-dioxide;sulfanylideneborinothioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;butane-1-sulfonate;oxathiolane 2,2-dioxide
CID 162059409
hexasodium;bis(3-[3-[(3-carboxy-2-methylbutanoyl)amino]propyl-dimethylazaniumyl]propane-1-sulfonate);tris(3-chloropropane-1-sulfonate);2-(dimethylamino)ethyl 2,2-dimethylbutanoate;4-[3-(dimethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid;N-[3-(dimethylamino)propyl]-2-methylbutanamide;bis(3-[2-(2,2-dimethylbutanoyloxy)ethyl-dimethylazaniumyl]propane-1-sulfonate);bis(3-[dimethyl-[3-(2-methylbutanoylamino)propyl]azaniumyl]propane-1-sulfonate);tris(oxathiolane 2,2-dioxide);chloride;dihydrochloride
CID 162136838
methyl butane-1-sulfonate;oxathiolane 2,2-dioxide
CID 162195351
dimethyl-[3-(phosphanyloxycarbonylamino)propyl]-(3-trimethoxysilylpropyl)azanium;phosphanyl N-[3-(dimethylamino)propyl]carbamate;chloride;dihydrofluoride
CID 162017392
N,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine
CID 87575509
sodium 3-(dimethylamino)propane-1-sulfonate
CID 23703542
disodium;4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorobenzenethiolate;3-[4-[1-chloro-3-[4-(2-trimethoxysilylethyl)phenyl]propyl]-2,3,5,6-tetrafluorophenyl]sulfanylpropane-1-sulfonate;oxathiolane 2,2-dioxide;silane
CID 160574307
3-[[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]-N,N-dimethylpropan-1-amine
CID 171623488
3-[dimethyl(undecyl)azaniumyl]propane-1-sulfonate
CID 177400937
butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide
CID 177425552
amino-hydroxy-oxoazanium;N,N-dimethyl-3-trimethoxysilylpropan-1-amine
CID 174780413
dimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium
CID 160815943

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-[dimethyl(3-trimethoxysilylpropyl)azaniumyl]propane-1-sulfonate;oxathiolane 2,2-dioxide;sulfanylideneborinothioic acid?
The IUPAC name of N,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-[dimethyl(3-trimethoxysilylpropyl)azaniumyl]propane-1-sulfonate;oxathiolane 2,2-dioxide;sulfanylideneborinothioic acid (CID 159953003) is N,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-[dimethyl(3-trimethoxysilylpropyl)azaniumyl]propane-1-sulfonate;oxathiolane 2,2-dioxide;sulfanylideneborinothioic acid.
What is the SMILES notation for N,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-[dimethyl(3-trimethoxysilylpropyl)azaniumyl]propane-1-sulfonate;oxathiolane 2,2-dioxide;sulfanylideneborinothioic acid?
The canonical SMILES for N,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-[dimethyl(3-trimethoxysilylpropyl)azaniumyl]propane-1-sulfonate;oxathiolane 2,2-dioxide;sulfanylideneborinothioic acid is CO[Si](CCCN(C)C)(OC)OC.CO[Si](CCC[N+](C)(C)CCCS(=O)(=O)[O-])(OC)OC.O=S1(=O)CCCO1.S=BS.
What is the InChIKey of N,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-[dimethyl(3-trimethoxysilylpropyl)azaniumyl]propane-1-sulfonate;oxathiolane 2,2-dioxide;sulfanylideneborinothioic acid?
The InChIKey is OCIUWIGGEKSMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NO6SSi.C8H21NO3Si.C3H6O3S.BHS2/c1-12(2,8-6-10-19(13,14)15)9-7-11-20(16-3,17-4)18-5;1-9(2)7-6-8-13(10-3,11-4)12-5;4-7(5)3-1-2-6-7;2-1-3/h6-11H2,1-5H3;6-8H2,1-5H3;1-3H2;2H.
What are the key properties of N,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-[dimethyl(3-trimethoxysilylpropyl)azaniumyl]propane-1-sulfonate;oxathiolane 2,2-dioxide;sulfanylideneborinothioic acid?
N,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-[dimethyl(3-trimethoxysilylpropyl)azaniumyl]propane-1-sulfonate;oxathiolane 2,2-dioxide;sulfanylideneborinothioic acid has a molecular weight of 734.94 g/mol, XLogP of 1.47, 18 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-[dimethyl(3-trimethoxysilylpropyl)azaniumyl]propane-1-sulfonate;oxathiolane 2,2-dioxide;sulfanylideneborinothioic acid is sourced from PubChem (CID 159953003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).