3-[3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3-thiazolidin-2-one

C12H20N2O3S — CID 94051371

IUPAC3-[3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
SMILESC[C@@H]1CN(C(=O)CCN2CCSC2=O)[C@@H](C)CO1
InChIInChI=1S/C12H20N2O3S/c1-9-8-17-10(2)7-14(9)11(15)3-4-13-5-6-18-12(13)16/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyVKRVAIONCXPBSK-VHSXEESVSA-N
MW272.37 g/mol
LogP1.18
Rot. Bonds3

About 3-[3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3-thiazolidin-2-one

3-[3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3-thiazolidin-2-one (PubChem CID 94051371) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-[3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
PubChem CID94051371
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name3-[3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
SMILESC[C@@H]1CN(C(=O)CCN2CCSC2=O)[C@@H](C)CO1
InChIInChI=1S/C12H20N2O3S/c1-9-8-17-10(2)7-14(9)11(15)3-4-13-5-6-18-12(13)16/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyVKRVAIONCXPBSK-VHSXEESVSA-N
XLogP1.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3-thiazolidin-2-one (CID 94051371) is 3-[3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3-thiazolidin-2-one is C[C@@H]1CN(C(=O)CCN2CCSC2=O)[C@@H](C)CO1.
What is the InChIKey of 3-[3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
The InChIKey is VKRVAIONCXPBSK-VHSXEESVSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9-8-17-10(2)7-14(9)11(15)3-4-13-5-6-18-12(13)16/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of 3-[3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
3-[3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3-thiazolidin-2-one has a molecular weight of 272.37 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 94051371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).