6-piperidin-4-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide

C14H19NO2S — CID 116962323

IUPAC6-piperidin-4-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide
SMILESO=S1(=O)CCCc2cc(C3CCNCC3)ccc21
InChIInChI=1S/C14H19NO2S/c16-18(17)9-1-2-13-10-12(3-4-14(13)18)11-5-7-15-8-6-11/h3-4,10-11,15H,1-2,5-9H2
InChIKeyIXJJANLJFAYRAG-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.87
Rot. Bonds1

About 6-piperidin-4-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide

6-piperidin-4-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide (PubChem CID 116962323) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 6-piperidin-4-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide.

Molecular Properties

Compound Name6-piperidin-4-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide
PubChem CID116962323
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name6-piperidin-4-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide
SMILESO=S1(=O)CCCc2cc(C3CCNCC3)ccc21
InChIInChI=1S/C14H19NO2S/c16-18(17)9-1-2-13-10-12(3-4-14(13)18)11-5-7-15-8-6-11/h3-4,10-11,15H,1-2,5-9H2
InChIKeyIXJJANLJFAYRAG-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-4-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The IUPAC name of 6-piperidin-4-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide (CID 116962323) is 6-piperidin-4-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide.
What is the SMILES notation for 6-piperidin-4-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The canonical SMILES for 6-piperidin-4-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide is O=S1(=O)CCCc2cc(C3CCNCC3)ccc21.
What is the InChIKey of 6-piperidin-4-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The InChIKey is IXJJANLJFAYRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-18(17)9-1-2-13-10-12(3-4-14(13)18)11-5-7-15-8-6-11/h3-4,10-11,15H,1-2,5-9H2.
What are the key properties of 6-piperidin-4-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide?
6-piperidin-4-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide has a molecular weight of 265.38 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-4-yl-3,4-dihydro-2H-thiochromene 1,1-dioxide is sourced from PubChem (CID 116962323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).