ethyl 1-[(4-methoxycarbonylphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylate

C17H24N2O6S — CID 47089338

IUPACethyl 1-[(4-methoxycarbonylphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)N(C)Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H24N2O6S/c1-4-25-17(21)15-6-5-11-19(15)26(22,23)18(2)12-13-7-9-14(10-8-13)16(20)24-3/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyCBLLLGMIUUWPIA-UHFFFAOYSA-N
MW384.45 g/mol
LogP1.18
Rot. Bonds7

About ethyl 1-[(4-methoxycarbonylphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylate

ethyl 1-[(4-methoxycarbonylphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylate (PubChem CID 47089338) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is ethyl 1-[(4-methoxycarbonylphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-methoxycarbonylphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylate
PubChem CID47089338
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Nameethyl 1-[(4-methoxycarbonylphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1S(=O)(=O)N(C)Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H24N2O6S/c1-4-25-17(21)15-6-5-11-19(15)26(22,23)18(2)12-13-7-9-14(10-8-13)16(20)24-3/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyCBLLLGMIUUWPIA-UHFFFAOYSA-N
XLogP1.18
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 112548538
ethyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 25421169
methyl 4-[[methyl(methylsulfonyl)amino]methyl]benzoate
CID 54485631
methyl 4-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]benzoate
CID 62013375
1-[(3-methoxyphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid
CID 71941905
ethyl 1-(methylsulfamoyl)pyrrolidine-2-carboxylate
CID 43362367
3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonyl-ethylamino]propanoic acid
CID 61009034
methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate
CID 69013818
methyl 1-(4-ethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 617150
ethyl 1-[4-(benzylcarbamoyl)piperidin-1-yl]sulfonylpyrrolidine-2-carboxylate
CID 42956034
ethyl (2S)-1-[(2R)-2-phenylazetidin-1-yl]sulfonylpyrrolidine-2-carboxylate
CID 97184210
1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056433

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-methoxycarbonylphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[(4-methoxycarbonylphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylate (CID 47089338) is ethyl 1-[(4-methoxycarbonylphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(4-methoxycarbonylphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(4-methoxycarbonylphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1S(=O)(=O)N(C)Cc1ccc(C(=O)OC)cc1.
What is the InChIKey of ethyl 1-[(4-methoxycarbonylphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylate?
The InChIKey is CBLLLGMIUUWPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-4-25-17(21)15-6-5-11-19(15)26(22,23)18(2)12-13-7-9-14(10-8-13)16(20)24-3/h7-10,15H,4-6,11-12H2,1-3H3.
What are the key properties of ethyl 1-[(4-methoxycarbonylphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylate?
ethyl 1-[(4-methoxycarbonylphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylate has a molecular weight of 384.45 g/mol, XLogP of 1.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-methoxycarbonylphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 47089338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).