methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate

C10H13NO5S — CID 716787

IUPACmethyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C10H13NO5S/c1-15-10(12)8-4-5-9(16-8)17(13,14)11-6-2-3-7-11/h4-5H,2-3,6-7H2,1H3
InChIKeyHMSOKIUTJPROQQ-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.85
Rot. Bonds3

About methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate

methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate (PubChem CID 716787) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
PubChem CID716787
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Namemethyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1
InChIInChI=1S/C10H13NO5S/c1-15-10(12)8-4-5-9(16-8)17(13,14)11-6-2-3-7-11/h4-5H,2-3,6-7H2,1H3
InChIKeyHMSOKIUTJPROQQ-UHFFFAOYSA-N
XLogP0.85
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(5-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]benzoate
CID 46547480
methyl 5-[4-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 91949851
methyl 5-[(2S)-2-methylthiomorpholin-4-yl]sulfonylfuran-2-carboxylate
CID 95284121
methyl 2-hydroxy-3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]benzoate
CID 56576104
methyl 5-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 91949848
methyl 2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 55632929
N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46575932
methyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate
CID 95760855
methyl 5-sulfamoylfuran-2-carboxylate
CID 3146896
N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630451
sodium 5-methoxycarbonylfuran-2-sulfonate
CID 87385701
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724

Frequently Asked Questions

What is the IUPAC name of methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate?
The IUPAC name of methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate (CID 716787) is methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate?
The canonical SMILES for methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1.
What is the InChIKey of methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate?
The InChIKey is HMSOKIUTJPROQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-15-10(12)8-4-5-9(16-8)17(13,14)11-6-2-3-7-11/h4-5H,2-3,6-7H2,1H3.
What are the key properties of methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate?
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate has a molecular weight of 259.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate is sourced from PubChem (CID 716787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).