[2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone

C9H16N2O3S — CID 119322366

IUPAC[2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
SMILESO=C([C@H]1CSCN1)N1CCOC(CO)C1
InChIInChI=1S/C9H16N2O3S/c12-4-7-3-11(1-2-14-7)9(13)8-5-15-6-10-8/h7-8,10,12H,1-6H2/t7?,8-/m1/s1
InChIKeyWZQCWBVPFJZGHB-BRFYHDHCSA-N
MW232.30 g/mol
LogP-1.13
Rot. Bonds2

About [2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone

[2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone (PubChem CID 119322366) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is [2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
PubChem CID119322366
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name[2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
SMILESO=C([C@H]1CSCN1)N1CCOC(CO)C1
InChIInChI=1S/C9H16N2O3S/c12-4-7-3-11(1-2-14-7)9(13)8-5-15-6-10-8/h7-8,10,12H,1-6H2/t7?,8-/m1/s1
InChIKeyWZQCWBVPFJZGHB-BRFYHDHCSA-N
XLogP-1.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone (CID 119322366) is [2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for [2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone is O=C([C@H]1CSCN1)N1CCOC(CO)C1.
What is the InChIKey of [2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone?
The InChIKey is WZQCWBVPFJZGHB-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H16N2O3S/c12-4-7-3-11(1-2-14-7)9(13)8-5-15-6-10-8/h7-8,10,12H,1-6H2/t7?,8-/m1/s1.
What are the key properties of [2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone?
[2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone has a molecular weight of 232.30 g/mol, XLogP of -1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 119322366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).