methyl 2-[ethyl-(3-methoxy-3-oxopropyl)sulfamoyl]propanoate

C10H19NO6S — CID 54951676

IUPACmethyl 2-[ethyl-(3-methoxy-3-oxopropyl)sulfamoyl]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)C(C)C(=O)OC
InChIInChI=1S/C10H19NO6S/c1-5-11(7-6-9(12)16-3)18(14,15)8(2)10(13)17-4/h8H,5-7H2,1-4H3
InChIKeyOMVGVTREZSXKHI-UHFFFAOYSA-N
MW281.33 g/mol
LogP-0.24
Rot. Bonds7

About methyl 2-[ethyl-(3-methoxy-3-oxopropyl)sulfamoyl]propanoate

methyl 2-[ethyl-(3-methoxy-3-oxopropyl)sulfamoyl]propanoate (PubChem CID 54951676) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 2-[ethyl-(3-methoxy-3-oxopropyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[ethyl-(3-methoxy-3-oxopropyl)sulfamoyl]propanoate
PubChem CID54951676
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Namemethyl 2-[ethyl-(3-methoxy-3-oxopropyl)sulfamoyl]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)C(C)C(=O)OC
InChIInChI=1S/C10H19NO6S/c1-5-11(7-6-9(12)16-3)18(14,15)8(2)10(13)17-4/h8H,5-7H2,1-4H3
InChIKeyOMVGVTREZSXKHI-UHFFFAOYSA-N
XLogP-0.24
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-(1-pyrrolidinylsulfonyl)propanoate
CID 28466000
2-[(3-Methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60951737
Methyl 3-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64584560
Methyl 3-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64584749
Methyl 3-[propylsulfonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64584751
Methyl 3-[methyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate
CID 82902715
Methyl 2-methyl-3-[methyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate
CID 82902849
Methyl 3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate
CID 83048181
Methyl 3-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate
CID 83059110
Ethyl 3-[methyl(4,4,4-trifluorobutylsulfonyl)amino]propanoate
CID 83060144
Methyl 2-(diethylsulfamoyl)propanoate
CID 11775769
3-(Dipropylsulfamoyl)propanoic acid
CID 24253495

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-(3-methoxy-3-oxopropyl)sulfamoyl]propanoate?
The IUPAC name of methyl 2-[ethyl-(3-methoxy-3-oxopropyl)sulfamoyl]propanoate (CID 54951676) is methyl 2-[ethyl-(3-methoxy-3-oxopropyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[ethyl-(3-methoxy-3-oxopropyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 2-[ethyl-(3-methoxy-3-oxopropyl)sulfamoyl]propanoate is CCN(CCC(=O)OC)S(=O)(=O)C(C)C(=O)OC.
What is the InChIKey of methyl 2-[ethyl-(3-methoxy-3-oxopropyl)sulfamoyl]propanoate?
The InChIKey is OMVGVTREZSXKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-5-11(7-6-9(12)16-3)18(14,15)8(2)10(13)17-4/h8H,5-7H2,1-4H3.
What are the key properties of methyl 2-[ethyl-(3-methoxy-3-oxopropyl)sulfamoyl]propanoate?
methyl 2-[ethyl-(3-methoxy-3-oxopropyl)sulfamoyl]propanoate has a molecular weight of 281.33 g/mol, XLogP of -0.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-(3-methoxy-3-oxopropyl)sulfamoyl]propanoate is sourced from PubChem (CID 54951676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).