methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate

C12H26N2O6S — CID 115677926

IUPACmethyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate
SMILESCOCCOCCCCNS(=O)(=O)N(C)CCC(=O)OC
InChIInChI=1S/C12H26N2O6S/c1-14(8-6-12(15)19-3)21(16,17)13-7-4-5-9-20-11-10-18-2/h13H,4-11H2,1-3H3
InChIKeyHBWCYCCAHVIKFY-UHFFFAOYSA-N
MW326.42 g/mol
LogP-0.24
Rot. Bonds13

About methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate

methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate (PubChem CID 115677926) has the molecular formula C12H26N2O6S and a molecular weight of 326.42 g/mol. Its IUPAC name is methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate
PubChem CID115677926
Molecular FormulaC12H26N2O6S
Molecular Weight326.42 g/mol
Exact Mass326.15
IUPAC Namemethyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate
SMILESCOCCOCCCCNS(=O)(=O)N(C)CCC(=O)OC
InChIInChI=1S/C12H26N2O6S/c1-14(8-6-12(15)19-3)21(16,17)13-7-4-5-9-20-11-10-18-2/h13H,4-11H2,1-3H3
InChIKeyHBWCYCCAHVIKFY-UHFFFAOYSA-N
XLogP-0.24
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462
methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
CID 113351676
methyl 3-[hex-5-ynylsulfamoyl(methyl)amino]propanoate
CID 113255942
ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate
CID 114816338
methyl 3-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfamoyl]amino]propanoate
CID 103731364
methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate
CID 83116212
methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate
CID 103731361
methyl 3-[methyl(3-piperazin-1-ylpropylsulfamoyl)amino]propanoate;dihydrochloride
CID 119994388
methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride
CID 120824389
methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate
CID 114816337
methyl 3-[(1,4-dimethylpiperidin-4-yl)methylsulfamoyl-methylamino]propanoate
CID 107163159
3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid
CID 113405032

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate?
The IUPAC name of methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate (CID 115677926) is methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate is COCCOCCCCNS(=O)(=O)N(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate?
The InChIKey is HBWCYCCAHVIKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O6S/c1-14(8-6-12(15)19-3)21(16,17)13-7-4-5-9-20-11-10-18-2/h13H,4-11H2,1-3H3.
What are the key properties of methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate?
methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate has a molecular weight of 326.42 g/mol, XLogP of -0.24, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate is sourced from PubChem (CID 115677926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).