methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate

C11H23NO5S — CID 107198654

IUPACmethyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C11H23NO5S/c1-12(8-4-3-5-9-13)18(15,16)10-6-7-11(14)17-2/h13H,3-10H2,1-2H3
InChIKeyGEFXHZUESFTCFA-UHFFFAOYSA-N
MW281.37 g/mol
LogP0.36
Rot. Bonds10

About methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate

methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate (PubChem CID 107198654) has the molecular formula C11H23NO5S and a molecular weight of 281.37 g/mol. Its IUPAC name is methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate
PubChem CID107198654
Molecular FormulaC11H23NO5S
Molecular Weight281.37 g/mol
Exact Mass281.13
IUPAC Namemethyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C11H23NO5S/c1-12(8-4-3-5-9-13)18(15,16)10-6-7-11(14)17-2/h13H,3-10H2,1-2H3
InChIKeyGEFXHZUESFTCFA-UHFFFAOYSA-N
XLogP0.36
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate
CID 55150539
methyl 4-[hexyl(2-hydroxyethyl)sulfamoyl]butanoate
CID 61460350
methyl 14-hydroxytetradecanoate
CID 13245690
methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate
CID 62735185
methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
CID 113351676
methyl 4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]butanoate
CID 61460661
methyl 4-[bis(2-cyanoethyl)sulfamoyl]butanoate
CID 61460452
methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462
methyl 4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanoate
CID 107478984
1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide
CID 107203162
methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate
CID 157418406
methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate
CID 55139195

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate (CID 107198654) is methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)N(C)CCCCCO.
What is the InChIKey of methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate?
The InChIKey is GEFXHZUESFTCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5S/c1-12(8-4-3-5-9-13)18(15,16)10-6-7-11(14)17-2/h13H,3-10H2,1-2H3.
What are the key properties of methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate?
methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate has a molecular weight of 281.37 g/mol, XLogP of 0.36, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate is sourced from PubChem (CID 107198654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).