CID 143653115

C17H19N2O2S+ — CID 143653115

IUPAC—
SMILESCC(/C=N/N[S+](=O)(O)c1ccc(C)cc1)=C\c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-14-8-10-17(11-9-14)22(20,21)19-18-13-15(2)12-16-6-4-3-5-7-16/h3-13H,1-2H3,(H-,19,20,21)/p+1/b15-12+,18-13+
InChIKeyDHAQTJSJHMULMV-PYEASBQRSA-O
MW315.42 g/mol
LogP3.92
Rot. Bonds5

About CID 143653115

CID 143653115 (PubChem CID 143653115) has the molecular formula C17H19N2O2S+ and a molecular weight of 315.42 g/mol.

Molecular Properties

Compound NameCID 143653115
PubChem CID143653115
Molecular FormulaC17H19N2O2S+
Molecular Weight315.42 g/mol
Exact Mass315.12
IUPAC Name—
SMILESCC(/C=N/N[S+](=O)(O)c1ccc(C)cc1)=C\c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-14-8-10-17(11-9-14)22(20,21)19-18-13-15(2)12-16-6-4-3-5-7-16/h3-13H,1-2H3,(H-,19,20,21)/p+1/b15-12+,18-13+
InChIKeyDHAQTJSJHMULMV-PYEASBQRSA-O
XLogP3.92
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714
4-methyl-N-[2-[(2E)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 45054169
2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 6908700
2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6898776
3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4175979
N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide
CID 4123123
1-[(2-methyl-3-phenylprop-2-enylidene)amino]-3-phenylthiourea
CID 3461984
5-methyl-2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 687595
N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 99907772
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide
CID 45054186

Frequently Asked Questions

What is the IUPAC name of CID 143653115?
The IUPAC name of CID 143653115 (CID 143653115) is not available.
What is the SMILES notation for CID 143653115?
The canonical SMILES for CID 143653115 is CC(/C=N/N[S+](=O)(O)c1ccc(C)cc1)=C\c1ccccc1.
What is the InChIKey of CID 143653115?
The InChIKey is DHAQTJSJHMULMV-PYEASBQRSA-O. The full InChI is InChI=1S/C17H18N2O2S/c1-14-8-10-17(11-9-14)22(20,21)19-18-13-15(2)12-16-6-4-3-5-7-16/h3-13H,1-2H3,(H-,19,20,21)/p+1/b15-12+,18-13+.
What are the key properties of CID 143653115?
CID 143653115 has a molecular weight of 315.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143653115 is sourced from PubChem (CID 143653115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).