CID 164812812

C10H19N2SSi — CID 164812812

IUPAC—
SMILESCC/C(=C/C(C)=N/C[Si])N(CC)CS
InChIInChI=1S/C10H19N2SSi/c1-4-10(12(5-2)8-13)6-9(3)11-7-14/h6,13H,4-5,7-8H2,1-3H3/b10-6-,11-9+
InChIKeyAJMUITLLBYWHTF-BZLPTDEHSA-N
MW227.43 g/mol
LogP2.08
Rot. Bonds6

About CID 164812812

CID 164812812 (PubChem CID 164812812) has the molecular formula C10H19N2SSi and a molecular weight of 227.43 g/mol.

Molecular Properties

Compound NameCID 164812812
PubChem CID164812812
Molecular FormulaC10H19N2SSi
Molecular Weight227.43 g/mol
Exact Mass227.10
IUPAC Name—
SMILESCC/C(=C/C(C)=N/C[Si])N(CC)CS
InChIInChI=1S/C10H19N2SSi/c1-4-10(12(5-2)8-13)6-9(3)11-7-14/h6,13H,4-5,7-8H2,1-3H3/b10-6-,11-9+
InChIKeyAJMUITLLBYWHTF-BZLPTDEHSA-N
XLogP2.08
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 164812812?
The IUPAC name of CID 164812812 (CID 164812812) is not available.
What is the SMILES notation for CID 164812812?
The canonical SMILES for CID 164812812 is CC/C(=C/C(C)=N/C[Si])N(CC)CS.
What is the InChIKey of CID 164812812?
The InChIKey is AJMUITLLBYWHTF-BZLPTDEHSA-N. The full InChI is InChI=1S/C10H19N2SSi/c1-4-10(12(5-2)8-13)6-9(3)11-7-14/h6,13H,4-5,7-8H2,1-3H3/b10-6-,11-9+.
What are the key properties of CID 164812812?
CID 164812812 has a molecular weight of 227.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164812812 is sourced from PubChem (CID 164812812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).