N-[2-[methylsulfonyl(3-trimethoxysilylbutan-2-yl)amino]ethyl]methanesulfonamide

C11H28N2O7S2Si — CID 139973984

IUPACN-[2-[methylsulfonyl(3-trimethoxysilylbutan-2-yl)amino]ethyl]methanesulfonamide
SMILESCO[Si](OC)(OC)C(C)C(C)N(CCNS(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C11H28N2O7S2Si/c1-10(11(2)23(18-3,19-4)20-5)13(22(7,16)17)9-8-12-21(6,14)15/h10-12H,8-9H2,1-7H3
InChIKeyMVEGHMKIAUZZKW-UHFFFAOYSA-N
MW392.57 g/mol
LogP-0.55
Rot. Bonds11

About N-[2-[methylsulfonyl(3-trimethoxysilylbutan-2-yl)amino]ethyl]methanesulfonamide

N-[2-[methylsulfonyl(3-trimethoxysilylbutan-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 139973984) has the molecular formula C11H28N2O7S2Si and a molecular weight of 392.57 g/mol. Its IUPAC name is N-[2-[methylsulfonyl(3-trimethoxysilylbutan-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[methylsulfonyl(3-trimethoxysilylbutan-2-yl)amino]ethyl]methanesulfonamide
PubChem CID139973984
Molecular FormulaC11H28N2O7S2Si
Molecular Weight392.57 g/mol
Exact Mass392.11
IUPAC NameN-[2-[methylsulfonyl(3-trimethoxysilylbutan-2-yl)amino]ethyl]methanesulfonamide
SMILESCO[Si](OC)(OC)C(C)C(C)N(CCNS(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C11H28N2O7S2Si/c1-10(11(2)23(18-3,19-4)20-5)13(22(7,16)17)9-8-12-21(6,14)15/h10-12H,8-9H2,1-7H3
InChIKeyMVEGHMKIAUZZKW-UHFFFAOYSA-N
XLogP-0.55
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[2-[methylsulfonyl(3-trimethoxysilylbutan-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[methylsulfonyl(3-trimethoxysilylbutan-2-yl)amino]ethyl]methanesulfonamide (CID 139973984) is N-[2-[methylsulfonyl(3-trimethoxysilylbutan-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[methylsulfonyl(3-trimethoxysilylbutan-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[methylsulfonyl(3-trimethoxysilylbutan-2-yl)amino]ethyl]methanesulfonamide is CO[Si](OC)(OC)C(C)C(C)N(CCNS(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of N-[2-[methylsulfonyl(3-trimethoxysilylbutan-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is MVEGHMKIAUZZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N2O7S2Si/c1-10(11(2)23(18-3,19-4)20-5)13(22(7,16)17)9-8-12-21(6,14)15/h10-12H,8-9H2,1-7H3.
What are the key properties of N-[2-[methylsulfonyl(3-trimethoxysilylbutan-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[methylsulfonyl(3-trimethoxysilylbutan-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 392.57 g/mol, XLogP of -0.55, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methylsulfonyl(3-trimethoxysilylbutan-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 139973984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).