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

C12H30N2O7S2Si — CID 139973969

IUPACN-[3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide
SMILESCO[Si](CCCN(C(C)C(C)NS(C)(=O)=O)S(C)(=O)=O)(OC)OC
InChIInChI=1S/C12H30N2O7S2Si/c1-11(13-22(6,15)16)12(2)14(23(7,17)18)9-8-10-24(19-3,20-4)21-5/h11-13H,8-10H2,1-7H3
InChIKeyGDODDYBSJLMSQY-UHFFFAOYSA-N
MW406.60 g/mol
LogP-0.16
Rot. Bonds12

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

N-[3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide (PubChem CID 139973969) has the molecular formula C12H30N2O7S2Si and a molecular weight of 406.60 g/mol. Its IUPAC name is N-[3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide
PubChem CID139973969
Molecular FormulaC12H30N2O7S2Si
Molecular Weight406.60 g/mol
Exact Mass406.13
IUPAC NameN-[3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide
SMILESCO[Si](CCCN(C(C)C(C)NS(C)(=O)=O)S(C)(=O)=O)(OC)OC
InChIInChI=1S/C12H30N2O7S2Si/c1-11(13-22(6,15)16)12(2)14(23(7,17)18)9-8-10-24(19-3,20-4)21-5/h11-13H,8-10H2,1-7H3
InChIKeyGDODDYBSJLMSQY-UHFFFAOYSA-N
XLogP-0.16
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[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

Frequently Asked Questions

What is the IUPAC name of N-[3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide?
The IUPAC name of N-[3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide (CID 139973969) is N-[3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide?
The canonical SMILES for N-[3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide is CO[Si](CCCN(C(C)C(C)NS(C)(=O)=O)S(C)(=O)=O)(OC)OC.
What is the InChIKey of N-[3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide?
The InChIKey is GDODDYBSJLMSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2O7S2Si/c1-11(13-22(6,15)16)12(2)14(23(7,17)18)9-8-10-24(19-3,20-4)21-5/h11-13H,8-10H2,1-7H3.
What are the key properties of N-[3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide?
N-[3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide has a molecular weight of 406.60 g/mol, XLogP of -0.16, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide is sourced from PubChem (CID 139973969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).