methyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate

C9H12N2O6S2 — CID 113391949

IUPACmethyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)CCNS(=O)(=O)c1scnc1C(=O)OC
InChIInChI=1S/C9H12N2O6S2/c1-16-6(12)3-4-11-19(14,15)9-7(8(13)17-2)10-5-18-9/h5,11H,3-4H2,1-2H3
InChIKeySYZKIOUUZVGVKJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP-0.23
Rot. Bonds6

About methyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate

methyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate (PubChem CID 113391949) has the molecular formula C9H12N2O6S2 and a molecular weight of 308.34 g/mol. Its IUPAC name is methyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate
PubChem CID113391949
Molecular FormulaC9H12N2O6S2
Molecular Weight308.34 g/mol
Exact Mass308.01
IUPAC Namemethyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)CCNS(=O)(=O)c1scnc1C(=O)OC
InChIInChI=1S/C9H12N2O6S2/c1-16-6(12)3-4-11-19(14,15)9-7(8(13)17-2)10-5-18-9/h5,11H,3-4H2,1-2H3
InChIKeySYZKIOUUZVGVKJ-UHFFFAOYSA-N
XLogP-0.23
TPSA111.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 104773163
methyl 5-(2-methylsulfinylethylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 113451632
methyl 5-chlorosulfonyl-1,3-thiazole-4-carboxylate
CID 15077125
methyl 5-(1,3-thiazol-5-ylmethylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 113451668
methyl 5-[(2-ethoxy-2-methylpropyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 114940685
methyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride
CID 120875849
methyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 113451667
methyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 113451646
methyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate
CID 120875277
methyl 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoate
CID 61053412
methyl 5-[(6-bromo-5-methyl-3-pyridinyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 104952560
methyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate
CID 104773168

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate (CID 113391949) is methyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate is COC(=O)CCNS(=O)(=O)c1scnc1C(=O)OC.
What is the InChIKey of methyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
The InChIKey is SYZKIOUUZVGVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O6S2/c1-16-6(12)3-4-11-19(14,15)9-7(8(13)17-2)10-5-18-9/h5,11H,3-4H2,1-2H3.
What are the key properties of methyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
methyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate has a molecular weight of 308.34 g/mol, XLogP of -0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113391949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).