CID 11799122

C21H38NO2SSn — CID 11799122

IUPAC—
SMILESC/C(=N\CCC(=O)O)c1cccs1.CCCC[Sn](CCCC)CCCC
InChIInChI=1S/C9H11NO2S.3C4H9.Sn/c1-7(8-3-2-6-13-8)10-5-4-9(11)12;3*1-3-4-2;/h2-3,6H,4-5H2,1H3,(H,11,12);3*1,3-4H2,2H3;/b10-7+;;;;
InChIKeyBGCIHDFINDYMTG-VUVJVRPPSA-N
MW487.32 g/mol
LogP6.91
Rot. Bonds13

About CID 11799122

CID 11799122 (PubChem CID 11799122) has the molecular formula C21H38NO2SSn and a molecular weight of 487.32 g/mol.

Molecular Properties

Compound NameCID 11799122
PubChem CID11799122
Molecular FormulaC21H38NO2SSn
Molecular Weight487.32 g/mol
Exact Mass488.16
IUPAC Name—
SMILESC/C(=N\CCC(=O)O)c1cccs1.CCCC[Sn](CCCC)CCCC
InChIInChI=1S/C9H11NO2S.3C4H9.Sn/c1-7(8-3-2-6-13-8)10-5-4-9(11)12;3*1-3-4-2;/h2-3,6H,4-5H2,1H3,(H,11,12);3*1,3-4H2,2H3;/b10-7+;;;;
InChIKeyBGCIHDFINDYMTG-VUVJVRPPSA-N
XLogP6.91
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.32
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 159804597
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885
2-(thiophene-2-carbonyl)hexanoic acid
CID 69343472
1-thiophen-2-yloctadec-9-en-1-one
CID 66809162
2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid
CID 82324463
2,3-dibutyl-1,4-dithiophen-2-ylbutane-1,4-dione
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4-pentoxy-1-thiophen-2-ylbutan-1-one
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Frequently Asked Questions

What is the IUPAC name of CID 11799122?
The IUPAC name of CID 11799122 (CID 11799122) is not available.
What is the SMILES notation for CID 11799122?
The canonical SMILES for CID 11799122 is C/C(=N\CCC(=O)O)c1cccs1.CCCC[Sn](CCCC)CCCC.
What is the InChIKey of CID 11799122?
The InChIKey is BGCIHDFINDYMTG-VUVJVRPPSA-N. The full InChI is InChI=1S/C9H11NO2S.3C4H9.Sn/c1-7(8-3-2-6-13-8)10-5-4-9(11)12;3*1-3-4-2;/h2-3,6H,4-5H2,1H3,(H,11,12);3*1,3-4H2,2H3;/b10-7+;;;;.
What are the key properties of CID 11799122?
CID 11799122 has a molecular weight of 487.32 g/mol, XLogP of 6.91, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11799122 is sourced from PubChem (CID 11799122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).