methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate

C10H22N2O5S — CID 115754514

IUPACmethyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate
SMILESCCCC(O)CNS(=O)(=O)N(C)CCC(=O)OC
InChIInChI=1S/C10H22N2O5S/c1-4-5-9(13)8-11-18(15,16)12(2)7-6-10(14)17-3/h9,11,13H,4-8H2,1-3H3
InChIKeyQKMYEBQPOBLUDX-UHFFFAOYSA-N
MW282.36 g/mol
LogP-0.52
Rot. Bonds9

About methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate

methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate (PubChem CID 115754514) has the molecular formula C10H22N2O5S and a molecular weight of 282.36 g/mol. Its IUPAC name is methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate
PubChem CID115754514
Molecular FormulaC10H22N2O5S
Molecular Weight282.36 g/mol
Exact Mass282.12
IUPAC Namemethyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate
SMILESCCCC(O)CNS(=O)(=O)N(C)CCC(=O)OC
InChIInChI=1S/C10H22N2O5S/c1-4-5-9(13)8-11-18(15,16)12(2)7-6-10(14)17-3/h9,11,13H,4-8H2,1-3H3
InChIKeyQKMYEBQPOBLUDX-UHFFFAOYSA-N
XLogP-0.52
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate
CID 115677986
methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride
CID 120824389
methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate
CID 114816337
1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
CID 115754479
methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462
3-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propanoic acid
CID 79548328
methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
CID 113351676
methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate
CID 83116212
methyl 3-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]amino]propanoate
CID 115669280
3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid
CID 102695739
methyl 3-[methyl(pentan-2-yl)amino]propanoate
CID 43430775
methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 114465476

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate?
The IUPAC name of methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate (CID 115754514) is methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate is CCCC(O)CNS(=O)(=O)N(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate?
The InChIKey is QKMYEBQPOBLUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O5S/c1-4-5-9(13)8-11-18(15,16)12(2)7-6-10(14)17-3/h9,11,13H,4-8H2,1-3H3.
What are the key properties of methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate?
methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate has a molecular weight of 282.36 g/mol, XLogP of -0.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate is sourced from PubChem (CID 115754514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).