methyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate

C10H14N2O4S2 — CID 66185946

IUPACmethyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(C)C1CNC1
InChIInChI=1S/C10H14N2O4S2/c1-12(7-5-11-6-7)18(14,15)8-3-4-17-9(8)10(13)16-2/h3-4,7,11H,5-6H2,1-2H3
InChIKeyLDZMHHNWTMVPLT-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.13
Rot. Bonds4

About methyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 66185946) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is methyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID66185946
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Namemethyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(C)C1CNC1
InChIInChI=1S/C10H14N2O4S2/c1-12(7-5-11-6-7)18(14,15)8-3-4-17-9(8)10(13)16-2/h3-4,7,11H,5-6H2,1-2H3
InChIKeyLDZMHHNWTMVPLT-UHFFFAOYSA-N
XLogP0.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[(2R)-3,3-dimethylbutan-2-yl]-methylsulfamoyl]thiophene-2-carboxylate
CID 35394475
methyl 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylate
CID 18148503
methyl 3-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 3742759
methyl 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]sulfonyl]thiophene-2-carboxylate
CID 43597562
methyl 3-[(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)sulfonyl]thiophene-2-carboxylate
CID 43598033
methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate
CID 16646038
methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride
CID 119961772
methyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate
CID 156531143
3-[cyclohexyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43090724
methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 3460622
methyl 4-methyl-3-[methyl(pyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
CID 120875057
methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 18147980

Frequently Asked Questions

What is the IUPAC name of methyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate (CID 66185946) is methyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N(C)C1CNC1.
What is the InChIKey of methyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is LDZMHHNWTMVPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-12(7-5-11-6-7)18(14,15)8-3-4-17-9(8)10(13)16-2/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of methyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 290.37 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 66185946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).