4-(thiolan-3-ylmethyl)morpholine-2,6-dione

C9H13NO3S — CID 107298371

IUPAC4-(thiolan-3-ylmethyl)morpholine-2,6-dione
SMILESO=C1CN(CC2CCSC2)CC(=O)O1
InChIInChI=1S/C9H13NO3S/c11-8-4-10(5-9(12)13-8)3-7-1-2-14-6-7/h7H,1-6H2
InChIKeyRPNVIOCLLCYAKN-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.12
Rot. Bonds2

About 4-(thiolan-3-ylmethyl)morpholine-2,6-dione

4-(thiolan-3-ylmethyl)morpholine-2,6-dione (PubChem CID 107298371) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-(thiolan-3-ylmethyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(thiolan-3-ylmethyl)morpholine-2,6-dione
PubChem CID107298371
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name4-(thiolan-3-ylmethyl)morpholine-2,6-dione
SMILESO=C1CN(CC2CCSC2)CC(=O)O1
InChIInChI=1S/C9H13NO3S/c11-8-4-10(5-9(12)13-8)3-7-1-2-14-6-7/h7H,1-6H2
InChIKeyRPNVIOCLLCYAKN-UHFFFAOYSA-N
XLogP0.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropylmethyl)morpholine-2,6-dione
CID 63778853
3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one
CID 127002211
4-[(4-methylcyclohexyl)methyl]morpholine-2,6-dione
CID 63789772
2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid
CID 107133710
5-(thiolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 107133199
4-(hydroxymethyl)-3-(thiolan-3-ylmethyl)-1,3-oxazolidin-2-one
CID 115102359
2-(thiolan-3-ylmethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 107298546
4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine
CID 130668817
2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 107299046
3-(thiolan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 107133226
3-cyclopropyl-3-methyl-1-(thiolan-3-ylmethyl)piperazine-2,5-dione
CID 107298540
4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107298582

Frequently Asked Questions

What is the IUPAC name of 4-(thiolan-3-ylmethyl)morpholine-2,6-dione?
The IUPAC name of 4-(thiolan-3-ylmethyl)morpholine-2,6-dione (CID 107298371) is 4-(thiolan-3-ylmethyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(thiolan-3-ylmethyl)morpholine-2,6-dione?
The canonical SMILES for 4-(thiolan-3-ylmethyl)morpholine-2,6-dione is O=C1CN(CC2CCSC2)CC(=O)O1.
What is the InChIKey of 4-(thiolan-3-ylmethyl)morpholine-2,6-dione?
The InChIKey is RPNVIOCLLCYAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c11-8-4-10(5-9(12)13-8)3-7-1-2-14-6-7/h7H,1-6H2.
What are the key properties of 4-(thiolan-3-ylmethyl)morpholine-2,6-dione?
4-(thiolan-3-ylmethyl)morpholine-2,6-dione has a molecular weight of 215.27 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-3-ylmethyl)morpholine-2,6-dione is sourced from PubChem (CID 107298371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).