methyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate

C12H21NO6S — CID 115536220

IUPACmethyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate
SMILESCOC(=O)CN(C1CCCC1)S(=O)(=O)C(C)C(=O)OC
InChIInChI=1S/C12H21NO6S/c1-9(12(15)19-3)20(16,17)13(8-11(14)18-2)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3
InChIKeyUDUJWKYCIFGZJZ-UHFFFAOYSA-N
MW307.37 g/mol
LogP0.30
Rot. Bonds6

About methyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate

methyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate (PubChem CID 115536220) has the molecular formula C12H21NO6S and a molecular weight of 307.37 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate
PubChem CID115536220
Molecular FormulaC12H21NO6S
Molecular Weight307.37 g/mol
Exact Mass307.11
IUPAC Namemethyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate
SMILESCOC(=O)CN(C1CCCC1)S(=O)(=O)C(C)C(=O)OC
InChIInChI=1S/C12H21NO6S/c1-9(12(15)19-3)20(16,17)13(8-11(14)18-2)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3
InChIKeyUDUJWKYCIFGZJZ-UHFFFAOYSA-N
XLogP0.30
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 80707967
methyl 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetate
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methyl 2-[cyclohexyl(propan-2-yl)amino]acetate
CID 62025887
methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate
CID 63300934
methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate
CID 116655081
N-cycloheptyl-2-[cyclopentyl(methylsulfonyl)amino]acetamide
CID 113148899
2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide
CID 2986754
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
methyl 2-(dimethylsulfamoyl)propanoate
CID 63363151
methyl 2-[methyl(propan-2-ylsulfonyl)amino]acetate
CID 60865310
methyl 4-[cyclopentyl(propan-2-yl)sulfamoyl]butanoate
CID 86972402
methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate
CID 54951967

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate?
The IUPAC name of methyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate (CID 115536220) is methyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate is COC(=O)CN(C1CCCC1)S(=O)(=O)C(C)C(=O)OC.
What is the InChIKey of methyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate?
The InChIKey is UDUJWKYCIFGZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO6S/c1-9(12(15)19-3)20(16,17)13(8-11(14)18-2)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate?
methyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate has a molecular weight of 307.37 g/mol, XLogP of 0.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate is sourced from PubChem (CID 115536220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).