methyl 3-(2-methoxypropylsulfamoyl)propanoate

C8H17NO5S — CID 102697663

IUPACmethyl 3-(2-methoxypropylsulfamoyl)propanoate
SMILESCOC(=O)CCS(=O)(=O)NCC(C)OC
InChIInChI=1S/C8H17NO5S/c1-7(13-2)6-9-15(11,12)5-4-8(10)14-3/h7,9H,4-6H2,1-3H3
InChIKeyACLHICVKUPVKPL-UHFFFAOYSA-N
MW239.29 g/mol
LogP-0.50
Rot. Bonds7

About methyl 3-(2-methoxypropylsulfamoyl)propanoate

methyl 3-(2-methoxypropylsulfamoyl)propanoate (PubChem CID 102697663) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is methyl 3-(2-methoxypropylsulfamoyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methoxypropylsulfamoyl)propanoate
PubChem CID102697663
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC Namemethyl 3-(2-methoxypropylsulfamoyl)propanoate
SMILESCOC(=O)CCS(=O)(=O)NCC(C)OC
InChIInChI=1S/C8H17NO5S/c1-7(13-2)6-9-15(11,12)5-4-8(10)14-3/h7,9H,4-6H2,1-3H3
InChIKeyACLHICVKUPVKPL-UHFFFAOYSA-N
XLogP-0.50
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-(2-methoxypropylsulfamoyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 107835237
2-methoxy-N-(2-methoxypropyl)ethanesulfonamide
CID 102697513
methyl 3-(propan-2-ylsulfamoyl)propanoate
CID 64590435
2-[[(3-methoxy-3-oxopropyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474833
3-amino-N-(2-methoxypropyl)propane-1-sulfonamide
CID 102697740
methyl 3-(3-hydroxybutylsulfamoyl)propanoate
CID 64912074
methyl 3-propan-2-ylsulfonylpropanoate
CID 60874578
methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate
CID 64994359
2-(2-methoxypropylsulfamoyl)ethanethioamide
CID 102698254
methyl 3-(1-cyanoethylsulfamoyl)propanoate
CID 61458553
methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate
CID 66177756
(2S)-2-hydroxy-3-[(4-methoxy-4-oxobutyl)sulfonylamino]propanoic acid
CID 104935864

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxypropylsulfamoyl)propanoate?
The IUPAC name of methyl 3-(2-methoxypropylsulfamoyl)propanoate (CID 102697663) is methyl 3-(2-methoxypropylsulfamoyl)propanoate.
What is the SMILES notation for methyl 3-(2-methoxypropylsulfamoyl)propanoate?
The canonical SMILES for methyl 3-(2-methoxypropylsulfamoyl)propanoate is COC(=O)CCS(=O)(=O)NCC(C)OC.
What is the InChIKey of methyl 3-(2-methoxypropylsulfamoyl)propanoate?
The InChIKey is ACLHICVKUPVKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S/c1-7(13-2)6-9-15(11,12)5-4-8(10)14-3/h7,9H,4-6H2,1-3H3.
What are the key properties of methyl 3-(2-methoxypropylsulfamoyl)propanoate?
methyl 3-(2-methoxypropylsulfamoyl)propanoate has a molecular weight of 239.29 g/mol, XLogP of -0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxypropylsulfamoyl)propanoate is sourced from PubChem (CID 102697663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).