N-methylsulfonyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide

C11H28N2O7S2Si — CID 139973982

IUPACN-methylsulfonyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide
SMILESCO[Si](CCCN(C)CCN(S(C)(=O)=O)S(C)(=O)=O)(OC)OC
InChIInChI=1S/C11H28N2O7S2Si/c1-12(8-7-11-23(18-2,19-3)20-4)9-10-13(21(5,14)15)22(6,16)17/h7-11H2,1-6H3
InChIKeyCOHXLTCVMCUHCU-UHFFFAOYSA-N
MW392.57 g/mol
LogP-0.59
Rot. Bonds12

About N-methylsulfonyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide

N-methylsulfonyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide (PubChem CID 139973982) has the molecular formula C11H28N2O7S2Si and a molecular weight of 392.57 g/mol. Its IUPAC name is N-methylsulfonyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methylsulfonyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide
PubChem CID139973982
Molecular FormulaC11H28N2O7S2Si
Molecular Weight392.57 g/mol
Exact Mass392.11
IUPAC NameN-methylsulfonyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide
SMILESCO[Si](CCCN(C)CCN(S(C)(=O)=O)S(C)(=O)=O)(OC)OC
InChIInChI=1S/C11H28N2O7S2Si/c1-12(8-7-11-23(18-2,19-3)20-4)9-10-13(21(5,14)15)22(6,16)17/h7-11H2,1-6H3
InChIKeyCOHXLTCVMCUHCU-UHFFFAOYSA-N
XLogP-0.59
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(3-trimethoxysilylpropyl)methanesulfonamide
CID 18728773
Trimethoxysilylpropyltrimethylammonium methanesulfonate
CID 86654371
Methanesulfonate;trimethyl(1-trimethoxysilylpropyl)azanium
CID 87318489
Dimethyl-[2-[methyl(methylsulfonyl)amino]ethyl]-(3-trimethoxysilylpropyl)azanium
CID 89841056
N-methyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]butane-1-sulfonamide
CID 89843207
N-methyl-N-(3-trimethoxysilylpropyl)methanesulfonamide
CID 123715208
2-[Butylsulfonyl(methyl)amino]ethyl-dimethyl-(3-trimethoxysilylpropyl)azanium
CID 124008658
N-[3-[methylsulfonyl(3-trimethoxysilylpropyl)amino]butan-2-yl]methanesulfonamide
CID 139973969
N-[2-[methylsulfonyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide
CID 139973981
N-[2-[methylsulfonyl(3-trimethoxysilylbutan-2-yl)amino]ethyl]methanesulfonamide
CID 139973984
N-[2-[methylsulfonyl(2-trimethoxysilylethyl)amino]ethyl]methanesulfonamide
CID 139973986
N-[2-[3-[methoxy(dimethyl)silyl]propyl-methylsulfonylamino]ethyl]methanesulfonamide
CID 139973990

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-methylsulfonyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide (CID 139973982) is N-methylsulfonyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-methylsulfonyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-methylsulfonyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide is CO[Si](CCCN(C)CCN(S(C)(=O)=O)S(C)(=O)=O)(OC)OC.
What is the InChIKey of N-methylsulfonyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide?
The InChIKey is COHXLTCVMCUHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N2O7S2Si/c1-12(8-7-11-23(18-2,19-3)20-4)9-10-13(21(5,14)15)22(6,16)17/h7-11H2,1-6H3.
What are the key properties of N-methylsulfonyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide?
N-methylsulfonyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide has a molecular weight of 392.57 g/mol, XLogP of -0.59, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-N-[2-[methyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 139973982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).