CID 134790136

C21H24N2O3S — CID 134790136

IUPAC—
SMILESC[S+](=O)([O-])NC1CC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C21H24N2O3S/c1-27(25,26)22-19-15-21(18-10-6-5-9-17(18)19)11-13-23(14-12-21)20(24)16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3,(H-,22,25,26)
InChIKeyWJPNODCKZYPWMA-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.07
Rot. Bonds3

About CID 134790136

CID 134790136 (PubChem CID 134790136) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol.

Molecular Properties

Compound NameCID 134790136
PubChem CID134790136
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name—
SMILESC[S+](=O)([O-])NC1CC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C21H24N2O3S/c1-27(25,26)22-19-15-21(18-10-6-5-9-17(18)19)11-13-23(14-12-21)20(24)16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3,(H-,22,25,26)
InChIKeyWJPNODCKZYPWMA-UHFFFAOYSA-N
XLogP3.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-[3-spiro(2,3-dihydro-1H-indene-1,4''-piperidine)ylpropyl]-1,1''-biphenyl-2-carboxyamide
CID 11619553
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CID 11755934
2-benzyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide
CID 44407116
2-methyl-N-[[4-(1-methylpiperidin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide
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US10934302, Example 290
CID 139512071
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CID 44406997
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CID 44406998
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CID 44407050
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Frequently Asked Questions

What is the IUPAC name of CID 134790136?
The IUPAC name of CID 134790136 (CID 134790136) is not available.
What is the SMILES notation for CID 134790136?
The canonical SMILES for CID 134790136 is C[S+](=O)([O-])NC1CC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of CID 134790136?
The InChIKey is WJPNODCKZYPWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-27(25,26)22-19-15-21(18-10-6-5-9-17(18)19)11-13-23(14-12-21)20(24)16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3,(H-,22,25,26).
What are the key properties of CID 134790136?
CID 134790136 has a molecular weight of 384.50 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134790136 is sourced from PubChem (CID 134790136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).