methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate

C12H24N2O5S — CID 106609888

IUPACmethyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
SMILESCOCCN(CC1CCCN1)S(=O)(=O)CCC(=O)OC
InChIInChI=1S/C12H24N2O5S/c1-18-8-7-14(10-11-4-3-6-13-11)20(16,17)9-5-12(15)19-2/h11,13H,3-10H2,1-2H3
InChIKeyXGVWHLITPSPOSJ-UHFFFAOYSA-N
MW308.40 g/mol
LogP-0.42
Rot. Bonds9

About methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate

methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate (PubChem CID 106609888) has the molecular formula C12H24N2O5S and a molecular weight of 308.40 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
PubChem CID106609888
Molecular FormulaC12H24N2O5S
Molecular Weight308.40 g/mol
Exact Mass308.14
IUPAC Namemethyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
SMILESCOCCN(CC1CCCN1)S(=O)(=O)CCC(=O)OC
InChIInChI=1S/C12H24N2O5S/c1-18-8-7-14(10-11-4-3-6-13-11)20(16,17)9-5-12(15)19-2/h11,13H,3-10H2,1-2H3
InChIKeyXGVWHLITPSPOSJ-UHFFFAOYSA-N
XLogP-0.42
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate
CID 106609757
3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 106609930
methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
CID 106607628
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopentanesulfonamide
CID 106609985
methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate
CID 115536179
ethyl N-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]carbamate
CID 106609811
methyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate
CID 97301316
methyl 4-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]butanoate
CID 106607587
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388
4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610003
3-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106607554
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611566

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate (CID 106609888) is methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate is COCCN(CC1CCCN1)S(=O)(=O)CCC(=O)OC.
What is the InChIKey of methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate?
The InChIKey is XGVWHLITPSPOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5S/c1-18-8-7-14(10-11-4-3-6-13-11)20(16,17)9-5-12(15)19-2/h11,13H,3-10H2,1-2H3.
What are the key properties of methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate?
methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate has a molecular weight of 308.40 g/mol, XLogP of -0.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate is sourced from PubChem (CID 106609888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).