5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one

C10H16N2O5S2 — CID 102934016

IUPAC5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C10H16N2O5S2/c1-6-3-12(4-8(5-13)17-6)19(15,16)9-7(2)11-10(14)18-9/h6,8,13H,3-5H2,1-2H3,(H,11,14)
InChIKeyDAEGNSPFXNVSCV-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.48
Rot. Bonds3

About 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one

5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one (PubChem CID 102934016) has the molecular formula C10H16N2O5S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
PubChem CID102934016
Molecular FormulaC10H16N2O5S2
Molecular Weight308.38 g/mol
Exact Mass308.05
IUPAC Name5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C10H16N2O5S2/c1-6-3-12(4-8(5-13)17-6)19(15,16)9-7(2)11-10(14)18-9/h6,8,13H,3-5H2,1-2H3,(H,11,14)
InChIKeyDAEGNSPFXNVSCV-UHFFFAOYSA-N
XLogP-0.48
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one (CID 102934016) is 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CC(C)OC(CO)C1.
What is the InChIKey of 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
The InChIKey is DAEGNSPFXNVSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S2/c1-6-3-12(4-8(5-13)17-6)19(15,16)9-7(2)11-10(14)18-9/h6,8,13H,3-5H2,1-2H3,(H,11,14).
What are the key properties of 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one has a molecular weight of 308.38 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 102934016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).