methyl 4-(hexan-2-ylsulfamoyl)butanoate

C11H23NO4S — CID 62200961

IUPACmethyl 4-(hexan-2-ylsulfamoyl)butanoate
SMILESCCCCC(C)NS(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C11H23NO4S/c1-4-5-7-10(2)12-17(14,15)9-6-8-11(13)16-3/h10,12H,4-9H2,1-3H3
InChIKeyOIERVQZENGDWHK-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.44
Rot. Bonds9

About methyl 4-(hexan-2-ylsulfamoyl)butanoate

methyl 4-(hexan-2-ylsulfamoyl)butanoate (PubChem CID 62200961) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is methyl 4-(hexan-2-ylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(hexan-2-ylsulfamoyl)butanoate
PubChem CID62200961
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Namemethyl 4-(hexan-2-ylsulfamoyl)butanoate
SMILESCCCCC(C)NS(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C11H23NO4S/c1-4-5-7-10(2)12-17(14,15)9-6-8-11(13)16-3/h10,12H,4-9H2,1-3H3
InChIKeyOIERVQZENGDWHK-UHFFFAOYSA-N
XLogP1.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4,4,4-trifluorobutan-2-ylsulfamoyl)butanoate
CID 104854823
methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate
CID 65192511
methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate
CID 61460199
2-[(4-methoxy-4-oxobutyl)sulfonylamino]butanoic acid
CID 54952165
methyl 4-[1-(4-fluorophenyl)propan-2-ylsulfamoyl]butanoate
CID 62995687
methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]sulfamoyl]butanoate
CID 61477235
N-(6-methylheptan-2-yl)propane-1-sulfonamide
CID 61383965
N-(1-hydroxypropan-2-yl)butane-1-sulfonamide
CID 43502189
2-amino-N-heptan-2-ylethanesulfonamide
CID 61456790
methyl 4-(2-butoxyethylsulfamoyl)butanoate
CID 54951970
2-amino-N-octan-2-ylethanesulfonamide
CID 61477051
methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate
CID 79547273

Frequently Asked Questions

What is the IUPAC name of methyl 4-(hexan-2-ylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(hexan-2-ylsulfamoyl)butanoate (CID 62200961) is methyl 4-(hexan-2-ylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(hexan-2-ylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(hexan-2-ylsulfamoyl)butanoate is CCCCC(C)NS(=O)(=O)CCCC(=O)OC.
What is the InChIKey of methyl 4-(hexan-2-ylsulfamoyl)butanoate?
The InChIKey is OIERVQZENGDWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-4-5-7-10(2)12-17(14,15)9-6-8-11(13)16-3/h10,12H,4-9H2,1-3H3.
What are the key properties of methyl 4-(hexan-2-ylsulfamoyl)butanoate?
methyl 4-(hexan-2-ylsulfamoyl)butanoate has a molecular weight of 265.37 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(hexan-2-ylsulfamoyl)butanoate is sourced from PubChem (CID 62200961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).