N-[2,3-dimethyl-3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide

C14H34N2O7S2Si — CID 139973974

IUPACN-[2,3-dimethyl-3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide
SMILESCO[Si](CCCN(C(C)(C)C(C)(C)NS(C)(=O)=O)S(C)(=O)=O)(OC)OC
InChIInChI=1S/C14H34N2O7S2Si/c1-13(2,15-24(8,17)18)14(3,4)16(25(9,19)20)11-10-12-26(21-5,22-6)23-7/h15H,10-12H2,1-9H3
InChIKeyIJNUEQYCYDFIJU-UHFFFAOYSA-N
MW434.65 g/mol
LogP0.62
Rot. Bonds12

About N-[2,3-dimethyl-3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide

N-[2,3-dimethyl-3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide (PubChem CID 139973974) has the molecular formula C14H34N2O7S2Si and a molecular weight of 434.65 g/mol. Its IUPAC name is N-[2,3-dimethyl-3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2,3-dimethyl-3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide
PubChem CID139973974
Molecular FormulaC14H34N2O7S2Si
Molecular Weight434.65 g/mol
Exact Mass434.16
IUPAC NameN-[2,3-dimethyl-3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide
SMILESCO[Si](CCCN(C(C)(C)C(C)(C)NS(C)(=O)=O)S(C)(=O)=O)(OC)OC
InChIInChI=1S/C14H34N2O7S2Si/c1-13(2,15-24(8,17)18)14(3,4)16(25(9,19)20)11-10-12-26(21-5,22-6)23-7/h15H,10-12H2,1-9H3
InChIKeyIJNUEQYCYDFIJU-UHFFFAOYSA-N
XLogP0.62
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.65
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2,3-dimethyl-3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide 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

N-methylsulfonyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide
CID 139973982
tert-butyl(3-trimethoxysilylpropyl)carbamic acid
CID 23175203
3-[methyl(3-trimethoxysilylpropyl)amino]propane-1-sulfonic acid
CID 46830547
2-bromo-N,N-bis(3-trimethoxysilylpropyl)acetamide
CID 168863060
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113068002
methyl(3-trimethoxysilylpropyl)carbamic acid
CID 71432003
2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide
CID 140721019
N,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine
CID 87575509
N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide
CID 141245028
bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine
CID 161482517
N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]acetamide
CID 89118215
N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 87495957

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethyl-3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide?
The IUPAC name of N-[2,3-dimethyl-3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide (CID 139973974) is N-[2,3-dimethyl-3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2,3-dimethyl-3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2,3-dimethyl-3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide is CO[Si](CCCN(C(C)(C)C(C)(C)NS(C)(=O)=O)S(C)(=O)=O)(OC)OC.
What is the InChIKey of N-[2,3-dimethyl-3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide?
The InChIKey is IJNUEQYCYDFIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34N2O7S2Si/c1-13(2,15-24(8,17)18)14(3,4)16(25(9,19)20)11-10-12-26(21-5,22-6)23-7/h15H,10-12H2,1-9H3.
What are the key properties of N-[2,3-dimethyl-3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide?
N-[2,3-dimethyl-3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide has a molecular weight of 434.65 g/mol, XLogP of 0.62, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethyl-3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide is sourced from PubChem (CID 139973974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).