CID 140622433

C16H25FN3O2S — CID 140622433

IUPAC—
SMILESC[C](C)c1cc(F)cc(CN2CCN(S(=O)(=O)N(C)C)CC2)c1
InChIInChI=1S/C16H25FN3O2S/c1-13(2)15-9-14(10-16(17)11-15)12-19-5-7-20(8-6-19)23(21,22)18(3)4/h9-11H,5-8,12H2,1-4H3
InChIKeyJISWEPGLPDBCPH-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.71
Rot. Bonds5

About CID 140622433

CID 140622433 (PubChem CID 140622433) has the molecular formula C16H25FN3O2S and a molecular weight of 342.46 g/mol.

Molecular Properties

Compound NameCID 140622433
PubChem CID140622433
Molecular FormulaC16H25FN3O2S
Molecular Weight342.46 g/mol
Exact Mass342.17
IUPAC Name—
SMILESC[C](C)c1cc(F)cc(CN2CCN(S(=O)(=O)N(C)C)CC2)c1
InChIInChI=1S/C16H25FN3O2S/c1-13(2)15-9-14(10-16(17)11-15)12-19-5-7-20(8-6-19)23(21,22)18(3)4/h9-11H,5-8,12H2,1-4H3
InChIKeyJISWEPGLPDBCPH-UHFFFAOYSA-N
XLogP1.71
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 140622433 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 140622433?
The IUPAC name of CID 140622433 (CID 140622433) is not available.
What is the SMILES notation for CID 140622433?
The canonical SMILES for CID 140622433 is C[C](C)c1cc(F)cc(CN2CCN(S(=O)(=O)N(C)C)CC2)c1.
What is the InChIKey of CID 140622433?
The InChIKey is JISWEPGLPDBCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN3O2S/c1-13(2)15-9-14(10-16(17)11-15)12-19-5-7-20(8-6-19)23(21,22)18(3)4/h9-11H,5-8,12H2,1-4H3.
What are the key properties of CID 140622433?
CID 140622433 has a molecular weight of 342.46 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140622433 is sourced from PubChem (CID 140622433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).