methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate

C11H22N2O5S — CID 106609757

IUPACmethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate
SMILESCOCCN(CC1CCCN1)S(=O)(=O)CC(=O)OC
InChIInChI=1S/C11H22N2O5S/c1-17-7-6-13(8-10-4-3-5-12-10)19(15,16)9-11(14)18-2/h10,12H,3-9H2,1-2H3
InChIKeyKJRFMRPZRHUWNN-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.81
Rot. Bonds8

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

methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate (PubChem CID 106609757) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate
PubChem CID106609757
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Namemethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate
SMILESCOCCN(CC1CCCN1)S(=O)(=O)CC(=O)OC
InChIInChI=1S/C11H22N2O5S/c1-17-7-6-13(8-10-4-3-5-12-10)19(15,16)9-11(14)18-2/h10,12H,3-9H2,1-2H3
InChIKeyKJRFMRPZRHUWNN-UHFFFAOYSA-N
XLogP-0.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
CID 106609888
3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 106609930
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopentanesulfonamide
CID 106609985
ethyl N-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]carbamate
CID 106609811
ethyl 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate
CID 106608776
methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
CID 106607628
4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610003
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611566
methyl 4-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]butanoate
CID 106607587
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106617509
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106609971

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate?
The IUPAC name of methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate (CID 106609757) is methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate is COCCN(CC1CCCN1)S(=O)(=O)CC(=O)OC.
What is the InChIKey of methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate?
The InChIKey is KJRFMRPZRHUWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-17-7-6-13(8-10-4-3-5-12-10)19(15,16)9-11(14)18-2/h10,12H,3-9H2,1-2H3.
What are the key properties of methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate?
methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate has a molecular weight of 294.37 g/mol, XLogP of -0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate is sourced from PubChem (CID 106609757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).