CID 10791906

C23H42NO2SSn — CID 10791906

IUPAC—
SMILESC/C(=N\C(C(=O)O)C(C)C)c1cccs1.CCCC[Sn](CCCC)CCCC
InChIInChI=1S/C11H15NO2S.3C4H9.Sn/c1-7(2)10(11(13)14)12-8(3)9-5-4-6-15-9;3*1-3-4-2;/h4-7,10H,1-3H3,(H,13,14);3*1,3-4H2,2H3;/b12-8+;;;;
InChIKeyHUDLSWGAAYCXIT-AMBMTFPGSA-N
MW515.37 g/mol
LogP7.55
Rot. Bonds13

About CID 10791906

CID 10791906 (PubChem CID 10791906) has the molecular formula C23H42NO2SSn and a molecular weight of 515.37 g/mol.

Molecular Properties

Compound NameCID 10791906
PubChem CID10791906
Molecular FormulaC23H42NO2SSn
Molecular Weight515.37 g/mol
Exact Mass516.20
IUPAC Name—
SMILESC/C(=N\C(C(=O)O)C(C)C)c1cccs1.CCCC[Sn](CCCC)CCCC
InChIInChI=1S/C11H15NO2S.3C4H9.Sn/c1-7(2)10(11(13)14)12-8(3)9-5-4-6-15-9;3*1-3-4-2;/h4-7,10H,1-3H3,(H,13,14);3*1,3-4H2,2H3;/b12-8+;;;;
InChIKeyHUDLSWGAAYCXIT-AMBMTFPGSA-N
XLogP7.55
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.37
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10791906?
The IUPAC name of CID 10791906 (CID 10791906) is not available.
What is the SMILES notation for CID 10791906?
The canonical SMILES for CID 10791906 is C/C(=N\C(C(=O)O)C(C)C)c1cccs1.CCCC[Sn](CCCC)CCCC.
What is the InChIKey of CID 10791906?
The InChIKey is HUDLSWGAAYCXIT-AMBMTFPGSA-N. The full InChI is InChI=1S/C11H15NO2S.3C4H9.Sn/c1-7(2)10(11(13)14)12-8(3)9-5-4-6-15-9;3*1-3-4-2;/h4-7,10H,1-3H3,(H,13,14);3*1,3-4H2,2H3;/b12-8+;;;;.
What are the key properties of CID 10791906?
CID 10791906 has a molecular weight of 515.37 g/mol, XLogP of 7.55, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10791906 is sourced from PubChem (CID 10791906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).