methyl 3-[[butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoate

C9H20N2O5S — CID 103878695

IUPACmethyl 3-[[butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoate
SMILESCCCCN(C)S(=O)(=O)NCC(O)C(=O)OC
InChIInChI=1S/C9H20N2O5S/c1-4-5-6-11(2)17(14,15)10-7-8(12)9(13)16-3/h8,10,12H,4-7H2,1-3H3
InChIKeyWNDNYJGAEXZOPP-UHFFFAOYSA-N
MW268.33 g/mol
LogP-0.91
Rot. Bonds8

About methyl 3-[[butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoate

methyl 3-[[butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoate (PubChem CID 103878695) has the molecular formula C9H20N2O5S and a molecular weight of 268.33 g/mol. Its IUPAC name is methyl 3-[[butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[[butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoate
PubChem CID103878695
Molecular FormulaC9H20N2O5S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC Namemethyl 3-[[butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoate
SMILESCCCCN(C)S(=O)(=O)NCC(O)C(=O)OC
InChIInChI=1S/C9H20N2O5S/c1-4-5-6-11(2)17(14,15)10-7-8(12)9(13)16-3/h8,10,12H,4-7H2,1-3H3
InChIKeyWNDNYJGAEXZOPP-UHFFFAOYSA-N
XLogP-0.91
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2-Hydroxy-3-methoxy-3-oxopropyl)amino]methyl 3-amino-2-hydroxypropanoate
CID 156849778
Methyl 3-[2-hydroxypropylsulfamoyl(methyl)amino]propanoate
CID 65684133
Methyl 3-[[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]-methylamino]propanoate
CID 65684979
Methyl 3-[3-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 65685404
3-[3-Hydroxybutylsulfamoyl(methyl)amino]propanoic acid
CID 65685405
Methyl 3-[2-(2-hydroxyethoxy)ethylsulfamoyl-methylamino]propanoate
CID 65685767
3-[2-(2-Hydroxyethoxy)ethylsulfamoyl-methylamino]propanoic acid
CID 65685768
Methyl 3-[(2-hydroxy-3-methoxypropyl)sulfamoyl-methylamino]propanoate
CID 65685979
3-[(2-Hydroxy-3-methoxypropyl)sulfamoyl-methylamino]propanoic acid
CID 65685980
3-[[Butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid
CID 66165049
2-Hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 66165051
3-(Diethylsulfamoylamino)-2-hydroxypropanoic acid
CID 66165440

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[[butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoate (CID 103878695) is methyl 3-[[butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[[butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[[butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoate is CCCCN(C)S(=O)(=O)NCC(O)C(=O)OC.
What is the InChIKey of methyl 3-[[butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoate?
The InChIKey is WNDNYJGAEXZOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O5S/c1-4-5-6-11(2)17(14,15)10-7-8(12)9(13)16-3/h8,10,12H,4-7H2,1-3H3.
What are the key properties of methyl 3-[[butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoate?
methyl 3-[[butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoate has a molecular weight of 268.33 g/mol, XLogP of -0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoate is sourced from PubChem (CID 103878695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).