CID 134791990

C19H20FN3O3S — CID 134791990

IUPAC—
SMILESO=C(c1ccccc1F)N1CCC2(CC1)CN[S+](=O)([O-])c1ccccc1N2
InChIInChI=1S/C19H20FN3O3S/c20-15-6-2-1-5-14(15)18(24)23-11-9-19(10-12-23)13-21-27(25,26)17-8-4-3-7-16(17)22-19/h1-8H,9-13H2,(H2-,21,22,25,26)
InChIKeyGRDXDOPKZSJZDN-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.42
Rot. Bonds1

About CID 134791990

CID 134791990 (PubChem CID 134791990) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol.

Molecular Properties

Compound NameCID 134791990
PubChem CID134791990
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name—
SMILESO=C(c1ccccc1F)N1CCC2(CC1)CN[S+](=O)([O-])c1ccccc1N2
InChIInChI=1S/C19H20FN3O3S/c20-15-6-2-1-5-14(15)18(24)23-11-9-19(10-12-23)13-21-27(25,26)17-8-4-3-7-16(17)22-19/h1-8H,9-13H2,(H2-,21,22,25,26)
InChIKeyGRDXDOPKZSJZDN-UHFFFAOYSA-N
XLogP2.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
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 134791990?
The IUPAC name of CID 134791990 (CID 134791990) is not available.
What is the SMILES notation for CID 134791990?
The canonical SMILES for CID 134791990 is O=C(c1ccccc1F)N1CCC2(CC1)CN[S+](=O)([O-])c1ccccc1N2.
What is the InChIKey of CID 134791990?
The InChIKey is GRDXDOPKZSJZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c20-15-6-2-1-5-14(15)18(24)23-11-9-19(10-12-23)13-21-27(25,26)17-8-4-3-7-16(17)22-19/h1-8H,9-13H2,(H2-,21,22,25,26).
What are the key properties of CID 134791990?
CID 134791990 has a molecular weight of 389.45 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134791990 is sourced from PubChem (CID 134791990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).