6-(3,5-dimethylpiperidin-1-yl)sulfonylchromen-2-one

C16H19NO4S — CID 2988457

IUPAC6-(3,5-dimethylpiperidin-1-yl)sulfonylchromen-2-one
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1
InChIInChI=1S/C16H19NO4S/c1-11-7-12(2)10-17(9-11)22(19,20)14-4-5-15-13(8-14)3-6-16(18)21-15/h3-6,8,11-12H,7,9-10H2,1-2H3
InChIKeyOPGXPSPPYQBWAN-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.46
Rot. Bonds2

About 6-(3,5-dimethylpiperidin-1-yl)sulfonylchromen-2-one

6-(3,5-dimethylpiperidin-1-yl)sulfonylchromen-2-one (PubChem CID 2988457) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidin-1-yl)sulfonylchromen-2-one.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidin-1-yl)sulfonylchromen-2-one
PubChem CID2988457
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name6-(3,5-dimethylpiperidin-1-yl)sulfonylchromen-2-one
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1
InChIInChI=1S/C16H19NO4S/c1-11-7-12(2)10-17(9-11)22(19,20)14-4-5-15-13(8-14)3-6-16(18)21-15/h3-6,8,11-12H,7,9-10H2,1-2H3
InChIKeyOPGXPSPPYQBWAN-UHFFFAOYSA-N
XLogP2.46
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(3,5-dimethylpiperidin-1-yl)sulfonylchromen-2-one 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 6-(3,5-dimethylpiperidin-1-yl)sulfonylchromen-2-one?
The IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)sulfonylchromen-2-one (CID 2988457) is 6-(3,5-dimethylpiperidin-1-yl)sulfonylchromen-2-one.
What is the SMILES notation for 6-(3,5-dimethylpiperidin-1-yl)sulfonylchromen-2-one?
The canonical SMILES for 6-(3,5-dimethylpiperidin-1-yl)sulfonylchromen-2-one is CC1CC(C)CN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1.
What is the InChIKey of 6-(3,5-dimethylpiperidin-1-yl)sulfonylchromen-2-one?
The InChIKey is OPGXPSPPYQBWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-11-7-12(2)10-17(9-11)22(19,20)14-4-5-15-13(8-14)3-6-16(18)21-15/h3-6,8,11-12H,7,9-10H2,1-2H3.
What are the key properties of 6-(3,5-dimethylpiperidin-1-yl)sulfonylchromen-2-one?
6-(3,5-dimethylpiperidin-1-yl)sulfonylchromen-2-one has a molecular weight of 321.40 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidin-1-yl)sulfonylchromen-2-one is sourced from PubChem (CID 2988457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).