3-(3-trimethoxysilylpropylsulfanyl)propan-1-amine

C9H23NO3SSi — CID 59561257

IUPAC3-(3-trimethoxysilylpropylsulfanyl)propan-1-amine
SMILESCO[Si](CCCSCCCN)(OC)OC
InChIInChI=1S/C9H23NO3SSi/c1-11-15(12-2,13-3)9-5-8-14-7-4-6-10/h4-10H2,1-3H3
InChIKeyLMRFGMKNCCWFJP-UHFFFAOYSA-N
MW253.44 g/mol
LogP1.34
Rot. Bonds10

About 3-(3-trimethoxysilylpropylsulfanyl)propan-1-amine

3-(3-trimethoxysilylpropylsulfanyl)propan-1-amine (PubChem CID 59561257) has the molecular formula C9H23NO3SSi and a molecular weight of 253.44 g/mol. Its IUPAC name is 3-(3-trimethoxysilylpropylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-trimethoxysilylpropylsulfanyl)propan-1-amine
PubChem CID59561257
Molecular FormulaC9H23NO3SSi
Molecular Weight253.44 g/mol
Exact Mass253.12
IUPAC Name3-(3-trimethoxysilylpropylsulfanyl)propan-1-amine
SMILESCO[Si](CCCSCCCN)(OC)OC
InChIInChI=1S/C9H23NO3SSi/c1-11-15(12-2,13-3)9-5-8-14-7-4-6-10/h4-10H2,1-3H3
InChIKeyLMRFGMKNCCWFJP-UHFFFAOYSA-N
XLogP1.34
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-trimethoxysilylpropylsulfanyl)propan-1-amine 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 3-(3-trimethoxysilylpropylsulfanyl)propan-1-amine?
The IUPAC name of 3-(3-trimethoxysilylpropylsulfanyl)propan-1-amine (CID 59561257) is 3-(3-trimethoxysilylpropylsulfanyl)propan-1-amine.
What is the SMILES notation for 3-(3-trimethoxysilylpropylsulfanyl)propan-1-amine?
The canonical SMILES for 3-(3-trimethoxysilylpropylsulfanyl)propan-1-amine is CO[Si](CCCSCCCN)(OC)OC.
What is the InChIKey of 3-(3-trimethoxysilylpropylsulfanyl)propan-1-amine?
The InChIKey is LMRFGMKNCCWFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO3SSi/c1-11-15(12-2,13-3)9-5-8-14-7-4-6-10/h4-10H2,1-3H3.
What are the key properties of 3-(3-trimethoxysilylpropylsulfanyl)propan-1-amine?
3-(3-trimethoxysilylpropylsulfanyl)propan-1-amine has a molecular weight of 253.44 g/mol, XLogP of 1.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-trimethoxysilylpropylsulfanyl)propan-1-amine is sourced from PubChem (CID 59561257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).