3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid

C8H18N2O5S — CID 102695739

IUPAC3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid
SMILESCOC(C)CNS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C8H18N2O5S/c1-7(15-3)6-9-16(13,14)10(2)5-4-8(11)12/h7,9H,4-6H2,1-3H3,(H,11,12)
InChIKeyKPLZLRQXJRAPBE-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.74
Rot. Bonds8

About 3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid

3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid (PubChem CID 102695739) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid
PubChem CID102695739
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Name3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid
SMILESCOC(C)CNS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C8H18N2O5S/c1-7(15-3)6-9-16(13,14)10(2)5-4-8(11)12/h7,9H,4-6H2,1-3H3,(H,11,12)
InChIKeyKPLZLRQXJRAPBE-UHFFFAOYSA-N
XLogP-0.74
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propanoic acid
CID 79548328
3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid
CID 83142369
methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate
CID 115677986
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane
CID 102701547
methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride
CID 120824389
methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate
CID 114816337
3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid
CID 115358309
3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid
CID 113405032
methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate
CID 115754514
3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid
CID 106252638
3-[methyl-[2-(methylsulfamoyl)ethylsulfamoyl]amino]propanoic acid
CID 114174999
3-[2-(dimethylcarbamoylamino)ethylsulfamoyl-methylamino]propanoic acid
CID 83115936

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid (CID 102695739) is 3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid is COC(C)CNS(=O)(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid?
The InChIKey is KPLZLRQXJRAPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-7(15-3)6-9-16(13,14)10(2)5-4-8(11)12/h7,9H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid?
3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid has a molecular weight of 254.31 g/mol, XLogP of -0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 102695739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).