methyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate

C11H17NO5S2 — CID 114230128

IUPACmethyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)N(C)CCCO
InChIInChI=1S/C11H17NO5S2/c1-8-7-18-9(11(14)17-3)10(8)19(15,16)12(2)5-4-6-13/h7,13H,4-6H2,1-3H3
InChIKeyXYZOJJPMJVLXAL-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.85
Rot. Bonds6

About methyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate

methyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate (PubChem CID 114230128) has the molecular formula C11H17NO5S2 and a molecular weight of 307.39 g/mol. Its IUPAC name is methyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
PubChem CID114230128
Molecular FormulaC11H17NO5S2
Molecular Weight307.39 g/mol
Exact Mass307.05
IUPAC Namemethyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)N(C)CCCO
InChIInChI=1S/C11H17NO5S2/c1-8-7-18-9(11(14)17-3)10(8)19(15,16)12(2)5-4-6-13/h7,13H,4-6H2,1-3H3
InChIKeyXYZOJJPMJVLXAL-UHFFFAOYSA-N
XLogP0.85
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylate
CID 102747797
4-Methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102748175
Methyl 4-methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylate
CID 102748176
4-Methyl-3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102748381
4-Methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102748388
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748424
3-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748587
Methyl 3-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748588
Methyl 4-methyl-3-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylate
CID 102748738
4-Methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102748932
Methyl 4-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylate
CID 102748933
Methyl 3-(2,2-difluoroethylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749106

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate (CID 114230128) is methyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)N(C)CCCO.
What is the InChIKey of methyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The InChIKey is XYZOJJPMJVLXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S2/c1-8-7-18-9(11(14)17-3)10(8)19(15,16)12(2)5-4-6-13/h7,13H,4-6H2,1-3H3.
What are the key properties of methyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate?
methyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 114230128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).