CID 134790905

C15H14N2O3S2 — CID 134790905

IUPAC—
SMILESO=C1NC2(Cc3ccccc31)CN([S+](=O)([O-])c1cccs1)C2
InChIInChI=1S/C15H14N2O3S2/c18-14-12-5-2-1-4-11(12)8-15(16-14)9-17(10-15)22(19,20)13-6-3-7-21-13/h1-7H,8-10H2,(H-,16,18,19,20)
InChIKeyRDURDUPRVJSDNY-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.69
Rot. Bonds2

About CID 134790905

CID 134790905 (PubChem CID 134790905) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol.

Molecular Properties

Compound NameCID 134790905
PubChem CID134790905
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC Name—
SMILESO=C1NC2(Cc3ccccc31)CN([S+](=O)([O-])c1cccs1)C2
InChIInChI=1S/C15H14N2O3S2/c18-14-12-5-2-1-4-11(12)8-15(16-14)9-17(10-15)22(19,20)13-6-3-7-21-13/h1-7H,8-10H2,(H-,16,18,19,20)
InChIKeyRDURDUPRVJSDNY-UHFFFAOYSA-N
XLogP1.69
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 134790905?
The IUPAC name of CID 134790905 (CID 134790905) is not available.
What is the SMILES notation for CID 134790905?
The canonical SMILES for CID 134790905 is O=C1NC2(Cc3ccccc31)CN([S+](=O)([O-])c1cccs1)C2.
What is the InChIKey of CID 134790905?
The InChIKey is RDURDUPRVJSDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c18-14-12-5-2-1-4-11(12)8-15(16-14)9-17(10-15)22(19,20)13-6-3-7-21-13/h1-7H,8-10H2,(H-,16,18,19,20).
What are the key properties of CID 134790905?
CID 134790905 has a molecular weight of 334.42 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134790905 is sourced from PubChem (CID 134790905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).