4-[methyl(4-methylpentan-2-yl)sulfamoyl]butanoic acid

C11H23NO4S — CID 60950503

IUPAC4-[methyl(4-methylpentan-2-yl)sulfamoyl]butanoic acid
SMILESCC(C)CC(C)N(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H23NO4S/c1-9(2)8-10(3)12(4)17(15,16)7-5-6-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyMKLRLFWDFVEPFN-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.55
Rot. Bonds8

About 4-[methyl(4-methylpentan-2-yl)sulfamoyl]butanoic acid

4-[methyl(4-methylpentan-2-yl)sulfamoyl]butanoic acid (PubChem CID 60950503) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-[methyl(4-methylpentan-2-yl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[methyl(4-methylpentan-2-yl)sulfamoyl]butanoic acid
PubChem CID60950503
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name4-[methyl(4-methylpentan-2-yl)sulfamoyl]butanoic acid
SMILESCC(C)CC(C)N(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H23NO4S/c1-9(2)8-10(3)12(4)17(15,16)7-5-6-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyMKLRLFWDFVEPFN-UHFFFAOYSA-N
XLogP1.55
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60950661
3-[4-(Dimethylamino)pentan-2-ylsulfonyl]-2-methylbutanoic acid
CID 21348289
3-[2-Carboxypropyl(4-sulfopentan-2-yl)amino]butanoic acid
CID 139311383
2-[Ethylsulfonyl(propan-2-yl)amino]-3-methyl-2-propan-2-ylbutanoic acid
CID 141336353
4-(4-Methylpiperidin-1-yl)sulfonylbutanoic acid
CID 28513458
4-[Butyl(methyl)sulfamoyl]butanoic acid
CID 28513685
4-[Methyl(propan-2-yl)sulfamoyl]butanoic acid
CID 28773535
4-[Butyl(ethyl)sulfamoyl]butanoic acid
CID 28773927
4-(Dibutylsulfamoyl)butanoic acid
CID 28982447
4-(3-Methylpiperidin-1-yl)sulfonylbutanoic acid
CID 43209520
4-[Cyclohexyl(methyl)sulfamoyl]butanoic acid
CID 43209537
4-(3,5-Dimethylpiperidin-1-yl)sulfonylbutanoic acid
CID 43209548

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(4-methylpentan-2-yl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[methyl(4-methylpentan-2-yl)sulfamoyl]butanoic acid (CID 60950503) is 4-[methyl(4-methylpentan-2-yl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[methyl(4-methylpentan-2-yl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[methyl(4-methylpentan-2-yl)sulfamoyl]butanoic acid is CC(C)CC(C)N(C)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[methyl(4-methylpentan-2-yl)sulfamoyl]butanoic acid?
The InChIKey is MKLRLFWDFVEPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-9(2)8-10(3)12(4)17(15,16)7-5-6-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 4-[methyl(4-methylpentan-2-yl)sulfamoyl]butanoic acid?
4-[methyl(4-methylpentan-2-yl)sulfamoyl]butanoic acid has a molecular weight of 265.37 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(4-methylpentan-2-yl)sulfamoyl]butanoic acid is sourced from PubChem (CID 60950503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).