methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate

C11H23NO4S — CID 55150539

IUPACmethyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N(C)CCC(C)C
InChIInChI=1S/C11H23NO4S/c1-10(2)7-8-12(3)17(14,15)9-5-6-11(13)16-4/h10H,5-9H2,1-4H3
InChIKeyHKRSUDAWRDRWDA-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.25
Rot. Bonds8

About methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate

methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate (PubChem CID 55150539) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate
PubChem CID55150539
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Namemethyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)N(C)CCC(C)C
InChIInChI=1S/C11H23NO4S/c1-10(2)7-8-12(3)17(14,15)9-5-6-11(13)16-4/h10H,5-9H2,1-4H3
InChIKeyHKRSUDAWRDRWDA-UHFFFAOYSA-N
XLogP1.25
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate
CID 107198654
methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate
CID 62735185
methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate
CID 55139195
methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate
CID 62334087
methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate
CID 103187968
3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 55008563
methyl 4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]butanoate
CID 61460661
methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]sulfamoyl]butanoate
CID 61477235
methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate
CID 114816337
methyl 4-[bis(2-cyanoethyl)sulfamoyl]butanoate
CID 61460452
methyl 4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanoate
CID 107478984
methyl 21-methyldocosanoate
CID 14178788

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate (CID 55150539) is methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)N(C)CCC(C)C.
What is the InChIKey of methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate?
The InChIKey is HKRSUDAWRDRWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-10(2)7-8-12(3)17(14,15)9-5-6-11(13)16-4/h10H,5-9H2,1-4H3.
What are the key properties of methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate?
methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate has a molecular weight of 265.37 g/mol, XLogP of 1.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate is sourced from PubChem (CID 55150539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).