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

C10H26N2O7S2Si — CID 139973981

IUPACN-[2-[methylsulfonyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide
SMILESCO[Si](CCCN(CCNS(C)(=O)=O)S(C)(=O)=O)(OC)OC
InChIInChI=1S/C10H26N2O7S2Si/c1-17-22(18-2,19-3)10-6-8-12(21(5,15)16)9-7-11-20(4,13)14/h11H,6-10H2,1-5H3
InChIKeyLOQKALYWZWUNKI-UHFFFAOYSA-N
MW378.55 g/mol
LogP-0.93
Rot. Bonds12

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

N-[2-[methylsulfonyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide (PubChem CID 139973981) has the molecular formula C10H26N2O7S2Si and a molecular weight of 378.55 g/mol. Its IUPAC name is N-[2-[methylsulfonyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[methylsulfonyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide
PubChem CID139973981
Molecular FormulaC10H26N2O7S2Si
Molecular Weight378.55 g/mol
Exact Mass378.10
IUPAC NameN-[2-[methylsulfonyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide
SMILESCO[Si](CCCN(CCNS(C)(=O)=O)S(C)(=O)=O)(OC)OC
InChIInChI=1S/C10H26N2O7S2Si/c1-17-22(18-2,19-3)10-6-8-12(21(5,15)16)9-7-11-20(4,13)14/h11H,6-10H2,1-5H3
InChIKeyLOQKALYWZWUNKI-UHFFFAOYSA-N
XLogP-0.93
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 5-0.93
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-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[methylsulfonyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide (CID 139973981) is N-[2-[methylsulfonyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[methylsulfonyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[methylsulfonyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide is CO[Si](CCCN(CCNS(C)(=O)=O)S(C)(=O)=O)(OC)OC.
What is the InChIKey of N-[2-[methylsulfonyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide?
The InChIKey is LOQKALYWZWUNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N2O7S2Si/c1-17-22(18-2,19-3)10-6-8-12(21(5,15)16)9-7-11-20(4,13)14/h11H,6-10H2,1-5H3.
What are the key properties of N-[2-[methylsulfonyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide?
N-[2-[methylsulfonyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide has a molecular weight of 378.55 g/mol, XLogP of -0.93, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methylsulfonyl(3-trimethoxysilylpropyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 139973981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).