CID 134786274

C19H24N2O4S — CID 134786274

IUPAC—
SMILESCC(C)(C)OCC1CN(Cc2ccccc2)[S+](=O)([O-])c2cccnc2O1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)24-14-16-13-21(12-15-8-5-4-6-9-15)26(22,23)17-10-7-11-20-18(17)25-16/h4-11,16H,12-14H2,1-3H3
InChIKeyMTJMOFPWALUWTF-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.06
Rot. Bonds4

About CID 134786274

CID 134786274 (PubChem CID 134786274) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol.

Molecular Properties

Compound NameCID 134786274
PubChem CID134786274
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name—
SMILESCC(C)(C)OCC1CN(Cc2ccccc2)[S+](=O)([O-])c2cccnc2O1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)24-14-16-13-21(12-15-8-5-4-6-9-15)26(22,23)17-10-7-11-20-18(17)25-16/h4-11,16H,12-14H2,1-3H3
InChIKeyMTJMOFPWALUWTF-UHFFFAOYSA-N
XLogP3.06
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134786274?
The IUPAC name of CID 134786274 (CID 134786274) is not available.
What is the SMILES notation for CID 134786274?
The canonical SMILES for CID 134786274 is CC(C)(C)OCC1CN(Cc2ccccc2)[S+](=O)([O-])c2cccnc2O1.
What is the InChIKey of CID 134786274?
The InChIKey is MTJMOFPWALUWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-19(2,3)24-14-16-13-21(12-15-8-5-4-6-9-15)26(22,23)17-10-7-11-20-18(17)25-16/h4-11,16H,12-14H2,1-3H3.
What are the key properties of CID 134786274?
CID 134786274 has a molecular weight of 376.48 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134786274 is sourced from PubChem (CID 134786274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).