3,4-dihydro-2H-pyran-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone

C14H22N2O4S — CID 122139579

IUPAC3,4-dihydro-2H-pyran-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone
SMILESO=C(C1=CCCCO1)N1CCCC(N2CCCS2(=O)=O)C1
InChIInChI=1S/C14H22N2O4S/c17-14(13-6-1-2-9-20-13)15-7-3-5-12(11-15)16-8-4-10-21(16,18)19/h6,12H,1-5,7-11H2
InChIKeyXAMCLKGAVGUBBN-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.71
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone

3,4-dihydro-2H-pyran-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone (PubChem CID 122139579) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone
PubChem CID122139579
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name3,4-dihydro-2H-pyran-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone
SMILESO=C(C1=CCCCO1)N1CCCC(N2CCCS2(=O)=O)C1
InChIInChI=1S/C14H22N2O4S/c17-14(13-6-1-2-9-20-13)15-7-3-5-12(11-15)16-8-4-10-21(16,18)19/h6,12H,1-5,7-11H2
InChIKeyXAMCLKGAVGUBBN-UHFFFAOYSA-N
XLogP0.71
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone (CID 122139579) is 3,4-dihydro-2H-pyran-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone is O=C(C1=CCCCO1)N1CCCC(N2CCCS2(=O)=O)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is XAMCLKGAVGUBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c17-14(13-6-1-2-9-20-13)15-7-3-5-12(11-15)16-8-4-10-21(16,18)19/h6,12H,1-5,7-11H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone?
3,4-dihydro-2H-pyran-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 314.41 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 122139579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).