2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide

C9H21NO6SSi — CID 140721019

IUPAC2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide
SMILESCO[Si](CCCNC(=O)CS(C)(=O)=O)(OC)OC
InChIInChI=1S/C9H21NO6SSi/c1-14-18(15-2,16-3)7-5-6-10-9(11)8-17(4,12)13/h5-8H2,1-4H3,(H,10,11)
InChIKeyFENSIQMMTNMJJY-UHFFFAOYSA-N
MW299.42 g/mol
LogP-0.58
Rot. Bonds9

About 2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide

2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide (PubChem CID 140721019) has the molecular formula C9H21NO6SSi and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide
PubChem CID140721019
Molecular FormulaC9H21NO6SSi
Molecular Weight299.42 g/mol
Exact Mass299.09
IUPAC Name2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide
SMILESCO[Si](CCCNC(=O)CS(C)(=O)=O)(OC)OC
InChIInChI=1S/C9H21NO6SSi/c1-14-18(15-2,16-3)7-5-6-10-9(11)8-17(4,12)13/h5-8H2,1-4H3,(H,10,11)
InChIKeyFENSIQMMTNMJJY-UHFFFAOYSA-N
XLogP-0.58
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-aminohexyl)-2-methylsulfonylacetamide
CID 107843916
2-methoxy-N-(3-trimethoxysilylpropyl)acetamide
CID 102479159
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
2-acetamido-N-(3-trimethoxysilylpropyl)acetamide
CID 87064791
N-hex-5-ynyl-2-methylsulfonylacetamide
CID 103758108
4-trimethoxysilylbutylcarbamic acid
CID 18755644
N-(3-trimethoxysilylpropyl)carbamate
CID 19019611
N-(3-trimethoxysilylpropyl)tricosanamide
CID 175992989
N-(3-trimethoxysilylpropyl)octanamide
CID 71362207
N-(6-aminohexyl)-3-trimethoxysilylpropanamide
CID 59561256
N-[3-[ethyl(dimethoxy)silyl]propyl]-N'-(3-trimethoxysilylpropyl)butanediamide
CID 174034549
6-trimethoxysilylhexylurea
CID 87148927

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide?
The IUPAC name of 2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide (CID 140721019) is 2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide.
What is the SMILES notation for 2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide?
The canonical SMILES for 2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide is CO[Si](CCCNC(=O)CS(C)(=O)=O)(OC)OC.
What is the InChIKey of 2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide?
The InChIKey is FENSIQMMTNMJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO6SSi/c1-14-18(15-2,16-3)7-5-6-10-9(11)8-17(4,12)13/h5-8H2,1-4H3,(H,10,11).
What are the key properties of 2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide?
2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide has a molecular weight of 299.42 g/mol, XLogP of -0.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide is sourced from PubChem (CID 140721019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).