1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane

C19H32O3SSi — CID 19774067

IUPAC1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)CC1(CS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H32O3SSi/c1-5-24(6-2,7-3)22-17(4)15-19(13-14-19)16-23(20,21)18-11-9-8-10-12-18/h8-12,17H,5-7,13-16H2,1-4H3
InChIKeyVZXWSBZZRLBYSS-UHFFFAOYSA-N
MW368.62 g/mol
LogP5.04
Rot. Bonds10

About 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane

1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane (PubChem CID 19774067) has the molecular formula C19H32O3SSi and a molecular weight of 368.62 g/mol. Its IUPAC name is 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane.

Molecular Properties

Compound Name1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane
PubChem CID19774067
Molecular FormulaC19H32O3SSi
Molecular Weight368.62 g/mol
Exact Mass368.18
IUPAC Name1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)CC1(CS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H32O3SSi/c1-5-24(6-2,7-3)22-17(4)15-19(13-14-19)16-23(20,21)18-11-9-8-10-12-18/h8-12,17H,5-7,13-16H2,1-4H3
InChIKeyVZXWSBZZRLBYSS-UHFFFAOYSA-N
XLogP5.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.62
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane 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 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane?
The IUPAC name of 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane (CID 19774067) is 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane.
What is the SMILES notation for 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane?
The canonical SMILES for 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane is CC[Si](CC)(CC)OC(C)CC1(CS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane?
The InChIKey is VZXWSBZZRLBYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3SSi/c1-5-24(6-2,7-3)22-17(4)15-19(13-14-19)16-23(20,21)18-11-9-8-10-12-18/h8-12,17H,5-7,13-16H2,1-4H3.
What are the key properties of 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane?
1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane has a molecular weight of 368.62 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonylmethyl)cyclopropyl]propan-2-yloxy-triethylsilane is sourced from PubChem (CID 19774067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).