CID 173462588

C15H37N2O5S2Si — CID 173462588

IUPAC—
SMILESC=CC.C=CC.CCCC.CO[Si](OC)OC.NC(=O)S.NC(=O)S
InChIInChI=1S/C4H10.C3H9O3Si.2C3H6.2CH3NOS/c1-3-4-2;1-4-7(5-2)6-3;2*1-3-2;2*2-1(3)4/h3-4H2,1-2H3;1-3H3;2*3H,1H2,2H3;2*(H3,2,3,4)
InChIKeyLEFOPRXZQRYRQR-UHFFFAOYSA-N
MW417.69 g/mol
LogP4.09
Rot. Bonds4

About CID 173462588

CID 173462588 (PubChem CID 173462588) has the molecular formula C15H37N2O5S2Si and a molecular weight of 417.69 g/mol.

Molecular Properties

Compound NameCID 173462588
PubChem CID173462588
Molecular FormulaC15H37N2O5S2Si
Molecular Weight417.69 g/mol
Exact Mass417.19
IUPAC Name—
SMILESC=CC.C=CC.CCCC.CO[Si](OC)OC.NC(=O)S.NC(=O)S
InChIInChI=1S/C4H10.C3H9O3Si.2C3H6.2CH3NOS/c1-3-4-2;1-4-7(5-2)6-3;2*1-3-2;2*2-1(3)4/h3-4H2,1-2H3;1-3H3;2*3H,1H2,2H3;2*(H3,2,3,4)
InChIKeyLEFOPRXZQRYRQR-UHFFFAOYSA-N
XLogP4.09
TPSA113.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.69
LogP ≤ 54.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173462588?
The IUPAC name of CID 173462588 (CID 173462588) is not available.
What is the SMILES notation for CID 173462588?
The canonical SMILES for CID 173462588 is C=CC.C=CC.CCCC.CO[Si](OC)OC.NC(=O)S.NC(=O)S.
What is the InChIKey of CID 173462588?
The InChIKey is LEFOPRXZQRYRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H9O3Si.2C3H6.2CH3NOS/c1-3-4-2;1-4-7(5-2)6-3;2*1-3-2;2*2-1(3)4/h3-4H2,1-2H3;1-3H3;2*3H,1H2,2H3;2*(H3,2,3,4).
What are the key properties of CID 173462588?
CID 173462588 has a molecular weight of 417.69 g/mol, XLogP of 4.09, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173462588 is sourced from PubChem (CID 173462588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).