CID 58493142

C5H8NO3SSi — CID 58493142

IUPAC—
SMILESCNC(=O)C(CC(=O)O)S[Si]
InChIInChI=1S/C5H8NO3SSi/c1-6-5(9)3(10-11)2-4(7)8/h3H,2H2,1H3,(H,6,9)(H,7,8)
InChIKeyQFYLPTYZSYSGBN-UHFFFAOYSA-N
MW190.28 g/mol
LogP-0.61
Rot. Bonds4

About CID 58493142

CID 58493142 (PubChem CID 58493142) has the molecular formula C5H8NO3SSi and a molecular weight of 190.28 g/mol.

Molecular Properties

Compound NameCID 58493142
PubChem CID58493142
Molecular FormulaC5H8NO3SSi
Molecular Weight190.28 g/mol
Exact Mass190.00
IUPAC Name—
SMILESCNC(=O)C(CC(=O)O)S[Si]
InChIInChI=1S/C5H8NO3SSi/c1-6-5(9)3(10-11)2-4(7)8/h3H,2H2,1H3,(H,6,9)(H,7,8)
InChIKeyQFYLPTYZSYSGBN-UHFFFAOYSA-N
XLogP-0.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58493142?
The IUPAC name of CID 58493142 (CID 58493142) is not available.
What is the SMILES notation for CID 58493142?
The canonical SMILES for CID 58493142 is CNC(=O)C(CC(=O)O)S[Si].
What is the InChIKey of CID 58493142?
The InChIKey is QFYLPTYZSYSGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO3SSi/c1-6-5(9)3(10-11)2-4(7)8/h3H,2H2,1H3,(H,6,9)(H,7,8).
What are the key properties of CID 58493142?
CID 58493142 has a molecular weight of 190.28 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58493142 is sourced from PubChem (CID 58493142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).