CID 164812830

C11H21N2SSi — CID 164812830

IUPAC—
SMILESCC/C(=C/C(C)=N/C[Si])N(CS)C(C)C
InChIInChI=1S/C11H21N2SSi/c1-5-11(6-10(4)12-7-15)13(8-14)9(2)3/h6,9,14H,5,7-8H2,1-4H3/b11-6-,12-10+
InChIKeyYVVHLRPLMYYGCD-QVIJUPDLSA-N
MW241.46 g/mol
LogP2.46
Rot. Bonds6

About CID 164812830

CID 164812830 (PubChem CID 164812830) has the molecular formula C11H21N2SSi and a molecular weight of 241.46 g/mol.

Molecular Properties

Compound NameCID 164812830
PubChem CID164812830
Molecular FormulaC11H21N2SSi
Molecular Weight241.46 g/mol
Exact Mass241.12
IUPAC Name—
SMILESCC/C(=C/C(C)=N/C[Si])N(CS)C(C)C
InChIInChI=1S/C11H21N2SSi/c1-5-11(6-10(4)12-7-15)13(8-14)9(2)3/h6,9,14H,5,7-8H2,1-4H3/b11-6-,12-10+
InChIKeyYVVHLRPLMYYGCD-QVIJUPDLSA-N
XLogP2.46
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 52.46
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 164812830?
The IUPAC name of CID 164812830 (CID 164812830) is not available.
What is the SMILES notation for CID 164812830?
The canonical SMILES for CID 164812830 is CC/C(=C/C(C)=N/C[Si])N(CS)C(C)C.
What is the InChIKey of CID 164812830?
The InChIKey is YVVHLRPLMYYGCD-QVIJUPDLSA-N. The full InChI is InChI=1S/C11H21N2SSi/c1-5-11(6-10(4)12-7-15)13(8-14)9(2)3/h6,9,14H,5,7-8H2,1-4H3/b11-6-,12-10+.
What are the key properties of CID 164812830?
CID 164812830 has a molecular weight of 241.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164812830 is sourced from PubChem (CID 164812830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).