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

C9H17ClN2O3S — CID 119322360

IUPAC[2-(hydroxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CSCN1)N1CCOC(CO)C1
InChIInChI=1S/C9H16N2O3S.ClH/c12-4-7-3-11(1-2-14-7)9(13)8-5-15-6-10-8;/h7-8,10,12H,1-6H2;1H
InChIKeyGMLVOSSYOIKULQ-UHFFFAOYSA-N
MW268.77 g/mol
LogP-0.71
Rot. Bonds2

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

[2-(hydroxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride (PubChem CID 119322360) has the molecular formula C9H17ClN2O3S and a molecular weight of 268.77 g/mol. Its IUPAC name is [2-(hydroxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(hydroxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
PubChem CID119322360
Molecular FormulaC9H17ClN2O3S
Molecular Weight268.77 g/mol
Exact Mass268.06
IUPAC Name[2-(hydroxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CSCN1)N1CCOC(CO)C1
InChIInChI=1S/C9H16N2O3S.ClH/c12-4-7-3-11(1-2-14-7)9(13)8-5-15-6-10-8;/h7-8,10,12H,1-6H2;1H
InChIKeyGMLVOSSYOIKULQ-UHFFFAOYSA-N
XLogP-0.71
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 119322366
[2-(methoxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119328879
(2-methylmorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119276151
(2-methylmorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 119276152
[3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 43590441
[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 119903128
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120932154
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone;hydrochloride
CID 119322362
[2-(hydroxymethyl)morpholin-4-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 81203025
[2-(hydroxymethyl)morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 104896735
cyclopent-3-en-1-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208885

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride (CID 119322360) is [2-(hydroxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(hydroxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The canonical SMILES for [2-(hydroxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride is Cl.O=C(C1CSCN1)N1CCOC(CO)C1.
What is the InChIKey of [2-(hydroxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The InChIKey is GMLVOSSYOIKULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S.ClH/c12-4-7-3-11(1-2-14-7)9(13)8-5-15-6-10-8;/h7-8,10,12H,1-6H2;1H.
What are the key properties of [2-(hydroxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
[2-(hydroxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride has a molecular weight of 268.77 g/mol, XLogP of -0.71, 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]-(1,3-thiazolidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119322360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).