[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(thiadiazol-5-yl)methanone

C9H13N3O3S — CID 81209150

IUPAC[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(thiadiazol-5-yl)methanone
SMILESCC1COC(CO)CN1C(=O)c1cnns1
InChIInChI=1S/C9H13N3O3S/c1-6-5-15-7(4-13)3-12(6)9(14)8-2-10-11-16-8/h2,6-7,13H,3-5H2,1H3
InChIKeyPYXQWGBXLUGRGM-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.24
Rot. Bonds2

About [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(thiadiazol-5-yl)methanone

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(thiadiazol-5-yl)methanone (PubChem CID 81209150) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(thiadiazol-5-yl)methanone
PubChem CID81209150
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(thiadiazol-5-yl)methanone
SMILESCC1COC(CO)CN1C(=O)c1cnns1
InChIInChI=1S/C9H13N3O3S/c1-6-5-15-7(4-13)3-12(6)9(14)8-2-10-11-16-8/h2,6-7,13H,3-5H2,1H3
InChIKeyPYXQWGBXLUGRGM-UHFFFAOYSA-N
XLogP-0.24
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(thiadiazol-5-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(thiadiazol-5-yl)methanone (CID 81209150) is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(thiadiazol-5-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(thiadiazol-5-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(thiadiazol-5-yl)methanone is CC1COC(CO)CN1C(=O)c1cnns1.
What is the InChIKey of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(thiadiazol-5-yl)methanone?
The InChIKey is PYXQWGBXLUGRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-6-5-15-7(4-13)3-12(6)9(14)8-2-10-11-16-8/h2,6-7,13H,3-5H2,1H3.
What are the key properties of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(thiadiazol-5-yl)methanone?
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(thiadiazol-5-yl)methanone has a molecular weight of 243.29 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 81209150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).