6-piperidin-1-ylsulfonylchromene-2-thione

C14H15NO3S2 — CID 86182230

IUPAC6-piperidin-1-ylsulfonylchromene-2-thione
SMILESO=S(=O)(c1ccc2oc(=S)ccc2c1)N1CCCCC1
InChIInChI=1S/C14H15NO3S2/c16-20(17,15-8-2-1-3-9-15)12-5-6-13-11(10-12)4-7-14(19)18-13/h4-7,10H,1-3,8-9H2
InChIKeyFIJXOVMHTILEKB-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.34
Rot. Bonds2

About 6-piperidin-1-ylsulfonylchromene-2-thione

6-piperidin-1-ylsulfonylchromene-2-thione (PubChem CID 86182230) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 6-piperidin-1-ylsulfonylchromene-2-thione.

Molecular Properties

Compound Name6-piperidin-1-ylsulfonylchromene-2-thione
PubChem CID86182230
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Name6-piperidin-1-ylsulfonylchromene-2-thione
SMILESO=S(=O)(c1ccc2oc(=S)ccc2c1)N1CCCCC1
InChIInChI=1S/C14H15NO3S2/c16-20(17,15-8-2-1-3-9-15)12-5-6-13-11(10-12)4-7-14(19)18-13/h4-7,10H,1-3,8-9H2
InChIKeyFIJXOVMHTILEKB-UHFFFAOYSA-N
XLogP3.34
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-ylsulfonylchromene-2-thione?
The IUPAC name of 6-piperidin-1-ylsulfonylchromene-2-thione (CID 86182230) is 6-piperidin-1-ylsulfonylchromene-2-thione.
What is the SMILES notation for 6-piperidin-1-ylsulfonylchromene-2-thione?
The canonical SMILES for 6-piperidin-1-ylsulfonylchromene-2-thione is O=S(=O)(c1ccc2oc(=S)ccc2c1)N1CCCCC1.
What is the InChIKey of 6-piperidin-1-ylsulfonylchromene-2-thione?
The InChIKey is FIJXOVMHTILEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c16-20(17,15-8-2-1-3-9-15)12-5-6-13-11(10-12)4-7-14(19)18-13/h4-7,10H,1-3,8-9H2.
What are the key properties of 6-piperidin-1-ylsulfonylchromene-2-thione?
6-piperidin-1-ylsulfonylchromene-2-thione has a molecular weight of 309.41 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-ylsulfonylchromene-2-thione is sourced from PubChem (CID 86182230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).