methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate

C10H14N2O4S2 — CID 43624381

IUPACmethyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H14N2O4S2/c1-16-10(13)9-8(4-7-17-9)11-18(14,15)12-5-2-3-6-12/h4,7,11H,2-3,5-6H2,1H3
InChIKeyIALZWQZVCUQIDW-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.29
Rot. Bonds4

About methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate

methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate (PubChem CID 43624381) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate
PubChem CID43624381
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Namemethyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H14N2O4S2/c1-16-10(13)9-8(4-7-17-9)11-18(14,15)12-5-2-3-6-12/h4,7,11H,2-3,5-6H2,1H3
InChIKeyIALZWQZVCUQIDW-UHFFFAOYSA-N
XLogP1.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate
CID 43624372
methyl 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]thiophene-2-carboxylate
CID 26705000
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate
CID 55014356
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate
CID 114811453
methyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate
CID 62047916
methyl 4-chloro-3-(piperidin-1-ylsulfonylamino)benzoate
CID 110705948
methyl 3-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]thiophene-2-carboxylate
CID 43408259

Frequently Asked Questions

What is the IUPAC name of methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate (CID 43624381) is methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NS(=O)(=O)N1CCCC1.
What is the InChIKey of methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate?
The InChIKey is IALZWQZVCUQIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-16-10(13)9-8(4-7-17-9)11-18(14,15)12-5-2-3-6-12/h4,7,11H,2-3,5-6H2,1H3.
What are the key properties of methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate?
methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate has a molecular weight of 290.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 43624381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).