methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate

C12H16N2O5S2 — CID 18148668

IUPACmethyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C12H16N2O5S2/c1-19-12(16)11-9(4-7-20-11)21(17,18)13-8-10(15)14-5-2-3-6-14/h4,7,13H,2-3,5-6,8H2,1H3
InChIKeyNDOCRBOBIQZACN-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.44
Rot. Bonds5

About methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 18148668) has the molecular formula C12H16N2O5S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID18148668
Molecular FormulaC12H16N2O5S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC Namemethyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C12H16N2O5S2/c1-19-12(16)11-9(4-7-20-11)21(17,18)13-8-10(15)14-5-2-3-6-14/h4,7,13H,2-3,5-6,8H2,1H3
InChIKeyNDOCRBOBIQZACN-UHFFFAOYSA-N
XLogP0.44
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(2-methyl-2-piperidin-1-ylpropyl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
CID 42926829
2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
CID 66166894
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
4-methoxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712501
methyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
CID 3699579
methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
CID 78836894
methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
CID 3476036
methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
CID 43605768
methyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate
CID 39663609
methyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate
CID 18148549
methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate
CID 18148291
methyl 3-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 103848035

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate (CID 18148668) is methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCC(=O)N1CCCC1.
What is the InChIKey of methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is NDOCRBOBIQZACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S2/c1-19-12(16)11-9(4-7-20-11)21(17,18)13-8-10(15)14-5-2-3-6-14/h4,7,13H,2-3,5-6,8H2,1H3.
What are the key properties of methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 18148668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).