3,4-dihydro-2H-pyran;1,2-thiazolidine

C8H15NOS — CID 175478525

IUPAC3,4-dihydro-2H-pyran;1,2-thiazolidine
SMILESC1=COCCC1.C1CNSC1
InChIInChI=1S/C5H8O.C3H7NS/c1-2-4-6-5-3-1;1-2-4-5-3-1/h2,4H,1,3,5H2;4H,1-3H2
InChIKeyPPDKHOGIZXFHBM-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.94
Rot. Bonds

About 3,4-dihydro-2H-pyran;1,2-thiazolidine

3,4-dihydro-2H-pyran;1,2-thiazolidine (PubChem CID 175478525) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran;1,2-thiazolidine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran;1,2-thiazolidine
PubChem CID175478525
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name3,4-dihydro-2H-pyran;1,2-thiazolidine
SMILESC1=COCCC1.C1CNSC1
InChIInChI=1S/C5H8O.C3H7NS/c1-2-4-6-5-3-1;1-2-4-5-3-1/h2,4H,1,3,5H2;4H,1-3H2
InChIKeyPPDKHOGIZXFHBM-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dioxotitanium;1,2-thiazolidine
CID 174753622
3,4-dihydro-2H-pyran;ethyl acetate
CID 174819843
carbonyl dichloride;2,3-dihydrofuran
CID 174831853
2,3-dihydrofuran;1,4-dioxane
CID 162016312
azepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine
CID 160905652
cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;methane;7-oxabicyclo[2.2.1]hept-2-ene
CID 158943881
cyclohexene;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran
CID 158266404
cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;7-oxabicyclo[2.2.1]hept-2-ene
CID 161378411
5-deuterio-3,4-dihydro-2H-pyran
CID 132509068
1,6,2-dithiazepane
CID 87589530
6,7-dihydro-5H-1,4-dioxonin-3-one
CID 67583928
2-deuterio-2,3,4,5-tetrahydrooxepine
CID 175703385

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran;1,2-thiazolidine?
The IUPAC name of 3,4-dihydro-2H-pyran;1,2-thiazolidine (CID 175478525) is 3,4-dihydro-2H-pyran;1,2-thiazolidine.
What is the SMILES notation for 3,4-dihydro-2H-pyran;1,2-thiazolidine?
The canonical SMILES for 3,4-dihydro-2H-pyran;1,2-thiazolidine is C1=COCCC1.C1CNSC1.
What is the InChIKey of 3,4-dihydro-2H-pyran;1,2-thiazolidine?
The InChIKey is PPDKHOGIZXFHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C3H7NS/c1-2-4-6-5-3-1;1-2-4-5-3-1/h2,4H,1,3,5H2;4H,1-3H2.
What are the key properties of 3,4-dihydro-2H-pyran;1,2-thiazolidine?
3,4-dihydro-2H-pyran;1,2-thiazolidine has a molecular weight of 173.28 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran;1,2-thiazolidine is sourced from PubChem (CID 175478525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).