methyl 5-(3-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate

C11H16N2O5S2 — CID 104773158

IUPACmethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C11H16N2O5S2/c1-7-3-4-13(5-8(7)14)20(16,17)11-9(10(15)18-2)12-6-19-11/h6-8,14H,3-5H2,1-2H3
InChIKeyVXLFSBLNTFYCIS-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.32
Rot. Bonds3

About methyl 5-(3-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate

methyl 5-(3-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate (PubChem CID 104773158) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 5-(3-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
PubChem CID104773158
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Namemethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C11H16N2O5S2/c1-7-3-4-13(5-8(7)14)20(16,17)11-9(10(15)18-2)12-6-19-11/h6-8,14H,3-5H2,1-2H3
InChIKeyVXLFSBLNTFYCIS-UHFFFAOYSA-N
XLogP0.32
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
CID 103531319
methyl 5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate
CID 113451637
5-(3-hydroxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylic acid
CID 113391928
methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 120875719
methyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
CID 107390968
methyl 5-chlorosulfonyl-1,3-thiazole-4-carboxylate
CID 15077125
1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896811
methyl 5-(2-propylpiperazin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
CID 120876182
methyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 113451646
methyl 5-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylsulfonyl)-1,3-thiazole-4-carboxylate
CID 120874865
5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid
CID 107215906
methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 114680534

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(3-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate (CID 104773158) is methyl 5-(3-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(3-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(3-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1S(=O)(=O)N1CCC(C)C(O)C1.
What is the InChIKey of methyl 5-(3-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate?
The InChIKey is VXLFSBLNTFYCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-7-3-4-13(5-8(7)14)20(16,17)11-9(10(15)18-2)12-6-19-11/h6-8,14H,3-5H2,1-2H3.
What are the key properties of methyl 5-(3-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate?
methyl 5-(3-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 104773158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).