methyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate

C10H21N3O4S — CID 83004152

IUPACmethyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C10H21N3O4S/c1-12(9-6-10(14)17-2)18(15,16)11-13-7-4-3-5-8-13/h11H,3-9H2,1-2H3
InChIKeyCNQZQZLYXMPFHQ-UHFFFAOYSA-N
MW279.36 g/mol
LogP-0.28
Rot. Bonds6

About methyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate

methyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate (PubChem CID 83004152) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is methyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate
PubChem CID83004152
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Namemethyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C10H21N3O4S/c1-12(9-6-10(14)17-2)18(15,16)11-13-7-4-3-5-8-13/h11H,3-9H2,1-2H3
InChIKeyCNQZQZLYXMPFHQ-UHFFFAOYSA-N
XLogP-0.28
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate
CID 115669280
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine
CID 106075281
methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate
CID 62010889
methyl 3-[(1,4-dimethylpiperidin-4-yl)methylsulfamoyl-methylamino]propanoate
CID 107163159
methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate
CID 61072575
methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate
CID 62011095
methyl 3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-methylamino]propanoate
CID 103834182
methyl 3-[methyl(3-piperazin-1-ylpropylsulfamoyl)amino]propanoate;dihydrochloride
CID 119994388
methyl 3-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl-methylamino]propanoate
CID 113318668
methyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate
CID 81096925
methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 114465476
methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate (CID 83004152) is methyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate is COC(=O)CCN(C)S(=O)(=O)NN1CCCCC1.
What is the InChIKey of methyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate?
The InChIKey is CNQZQZLYXMPFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-12(9-6-10(14)17-2)18(15,16)11-13-7-4-3-5-8-13/h11H,3-9H2,1-2H3.
What are the key properties of methyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate?
methyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate has a molecular weight of 279.36 g/mol, XLogP of -0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate is sourced from PubChem (CID 83004152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).