methyl 2-(5-hydroxypentylsulfamoyl)acetate

C8H17NO5S — CID 107319424

IUPACmethyl 2-(5-hydroxypentylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NCCCCCO
InChIInChI=1S/C8H17NO5S/c1-14-8(11)7-15(12,13)9-5-3-2-4-6-10/h9-10H,2-7H2,1H3
InChIKeyXHOJBWLVZZPDCF-UHFFFAOYSA-N
MW239.29 g/mol
LogP-0.76
Rot. Bonds8

About methyl 2-(5-hydroxypentylsulfamoyl)acetate

methyl 2-(5-hydroxypentylsulfamoyl)acetate (PubChem CID 107319424) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is methyl 2-(5-hydroxypentylsulfamoyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-hydroxypentylsulfamoyl)acetate
PubChem CID107319424
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC Namemethyl 2-(5-hydroxypentylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NCCCCCO
InChIInChI=1S/C8H17NO5S/c1-14-8(11)7-15(12,13)9-5-3-2-4-6-10/h9-10H,2-7H2,1H3
InChIKeyXHOJBWLVZZPDCF-UHFFFAOYSA-N
XLogP-0.76
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-0.76
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

N-(5-hydroxypentyl)-2-methoxyethanesulfonamide
CID 107319418
methyl 2-(2-cyanoethylsulfamoyl)acetate
CID 62653120
methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
CID 113351676
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
10-hydroxydecylsulfamic acid
CID 151793979
methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462
1-chloro-N-(4-hydroxybutyl)methanesulfonamide
CID 106844119
methyl 2-(2-methylpropylsulfamoyl)acetate
CID 63928470
methyl 2-(methylsulfamoyl)acetate
CID 61360320
methyl 14-hydroxytetradecanoate
CID 13245690
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butylsulfamoyl]acetate
CID 10648462
methyl 2-(2-phenylethylsulfamoyl)acetate
CID 121221492

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-hydroxypentylsulfamoyl)acetate?
The IUPAC name of methyl 2-(5-hydroxypentylsulfamoyl)acetate (CID 107319424) is methyl 2-(5-hydroxypentylsulfamoyl)acetate.
What is the SMILES notation for methyl 2-(5-hydroxypentylsulfamoyl)acetate?
The canonical SMILES for methyl 2-(5-hydroxypentylsulfamoyl)acetate is COC(=O)CS(=O)(=O)NCCCCCO.
What is the InChIKey of methyl 2-(5-hydroxypentylsulfamoyl)acetate?
The InChIKey is XHOJBWLVZZPDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S/c1-14-8(11)7-15(12,13)9-5-3-2-4-6-10/h9-10H,2-7H2,1H3.
What are the key properties of methyl 2-(5-hydroxypentylsulfamoyl)acetate?
methyl 2-(5-hydroxypentylsulfamoyl)acetate has a molecular weight of 239.29 g/mol, XLogP of -0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-hydroxypentylsulfamoyl)acetate is sourced from PubChem (CID 107319424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).