3-[bis[2-(dimethylamino)ethoxy]-methylsilyl]propane-1-thiol

C12H30N2O2SSi — CID 160591949

IUPAC3-[bis[2-(dimethylamino)ethoxy]-methylsilyl]propane-1-thiol
SMILESCN(C)CCO[Si](C)(CCCS)OCCN(C)C
InChIInChI=1S/C12H30N2O2SSi/c1-13(2)7-9-15-18(5,12-6-11-17)16-10-8-14(3)4/h17H,6-12H2,1-5H3
InChIKeyRDDKGSXBUNIBNS-UHFFFAOYSA-N
MW294.54 g/mol
LogP1.53
Rot. Bonds11

About 3-[bis[2-(dimethylamino)ethoxy]-methylsilyl]propane-1-thiol

3-[bis[2-(dimethylamino)ethoxy]-methylsilyl]propane-1-thiol (PubChem CID 160591949) has the molecular formula C12H30N2O2SSi and a molecular weight of 294.54 g/mol. Its IUPAC name is 3-[bis[2-(dimethylamino)ethoxy]-methylsilyl]propane-1-thiol.

Molecular Properties

Compound Name3-[bis[2-(dimethylamino)ethoxy]-methylsilyl]propane-1-thiol
PubChem CID160591949
Molecular FormulaC12H30N2O2SSi
Molecular Weight294.54 g/mol
Exact Mass294.18
IUPAC Name3-[bis[2-(dimethylamino)ethoxy]-methylsilyl]propane-1-thiol
SMILESCN(C)CCO[Si](C)(CCCS)OCCN(C)C
InChIInChI=1S/C12H30N2O2SSi/c1-13(2)7-9-15-18(5,12-6-11-17)16-10-8-14(3)4/h17H,6-12H2,1-5H3
InChIKeyRDDKGSXBUNIBNS-UHFFFAOYSA-N
XLogP1.53
TPSA24.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.54
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[bis[2-(dimethylamino)ethoxy]-methylsilyl]propane-1-thiol?
The IUPAC name of 3-[bis[2-(dimethylamino)ethoxy]-methylsilyl]propane-1-thiol (CID 160591949) is 3-[bis[2-(dimethylamino)ethoxy]-methylsilyl]propane-1-thiol.
What is the SMILES notation for 3-[bis[2-(dimethylamino)ethoxy]-methylsilyl]propane-1-thiol?
The canonical SMILES for 3-[bis[2-(dimethylamino)ethoxy]-methylsilyl]propane-1-thiol is CN(C)CCO[Si](C)(CCCS)OCCN(C)C.
What is the InChIKey of 3-[bis[2-(dimethylamino)ethoxy]-methylsilyl]propane-1-thiol?
The InChIKey is RDDKGSXBUNIBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2O2SSi/c1-13(2)7-9-15-18(5,12-6-11-17)16-10-8-14(3)4/h17H,6-12H2,1-5H3.
What are the key properties of 3-[bis[2-(dimethylamino)ethoxy]-methylsilyl]propane-1-thiol?
3-[bis[2-(dimethylamino)ethoxy]-methylsilyl]propane-1-thiol has a molecular weight of 294.54 g/mol, XLogP of 1.53, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[2-(dimethylamino)ethoxy]-methylsilyl]propane-1-thiol is sourced from PubChem (CID 160591949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).