methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate

C11H24N2O5S — CID 113351676

IUPACmethyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCCCCCCO
InChIInChI=1S/C11H24N2O5S/c1-13(9-7-11(15)18-2)19(16,17)12-8-5-3-4-6-10-14/h12,14H,3-10H2,1-2H3
InChIKeyBHVQWXGRMFPHNX-UHFFFAOYSA-N
MW296.39 g/mol
LogP-0.13
Rot. Bonds11

About methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate

methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate (PubChem CID 113351676) has the molecular formula C11H24N2O5S and a molecular weight of 296.39 g/mol. Its IUPAC name is methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
PubChem CID113351676
Molecular FormulaC11H24N2O5S
Molecular Weight296.39 g/mol
Exact Mass296.14
IUPAC Namemethyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCCCCCCO
InChIInChI=1S/C11H24N2O5S/c1-13(9-7-11(15)18-2)19(16,17)12-8-5-3-4-6-10-14/h12,14H,3-10H2,1-2H3
InChIKeyBHVQWXGRMFPHNX-UHFFFAOYSA-N
XLogP-0.13
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[hex-5-ynylsulfamoyl(methyl)amino]propanoate
CID 113255942
methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate
CID 115677926
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-[methyl(3-piperazin-1-ylpropylsulfamoyl)amino]propanoate;dihydrochloride
CID 119994388
methyl 2-(5-hydroxypentylsulfamoyl)acetate
CID 107319424
methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate
CID 107198654
methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate
CID 103731361
methyl 3-[[4-(hydroxymethyl)phenyl]methylsulfamoyl-methylamino]propanoate
CID 107229626
methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride
CID 120824389
ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate
CID 114816338

Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate?
The IUPAC name of methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate (CID 113351676) is methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate?
The canonical SMILES for methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate is COC(=O)CCN(C)S(=O)(=O)NCCCCCCO.
What is the InChIKey of methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate?
The InChIKey is BHVQWXGRMFPHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O5S/c1-13(9-7-11(15)18-2)19(16,17)12-8-5-3-4-6-10-14/h12,14H,3-10H2,1-2H3.
What are the key properties of methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate?
methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate has a molecular weight of 296.39 g/mol, XLogP of -0.13, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate is sourced from PubChem (CID 113351676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).