4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid

C11H23NO5S — CID 107151263

IUPAC4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid
SMILESCC(C)(C)CC(O)CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H23NO5S/c1-11(2,3)7-9(13)8-12-18(16,17)6-4-5-10(14)15/h9,12-13H,4-8H2,1-3H3,(H,14,15)
InChIKeyJPWOLNXSFZTHBB-UHFFFAOYSA-N
MW281.37 g/mol
LogP0.57
Rot. Bonds8

About 4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid

4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid (PubChem CID 107151263) has the molecular formula C11H23NO5S and a molecular weight of 281.37 g/mol. Its IUPAC name is 4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid
PubChem CID107151263
Molecular FormulaC11H23NO5S
Molecular Weight281.37 g/mol
Exact Mass281.13
IUPAC Name4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid
SMILESCC(C)(C)CC(O)CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H23NO5S/c1-11(2,3)7-9(13)8-12-18(16,17)6-4-5-10(14)15/h9,12-13H,4-8H2,1-3H3,(H,14,15)
InChIKeyJPWOLNXSFZTHBB-UHFFFAOYSA-N
XLogP0.57
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide
CID 56794319
N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113249315
N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide
CID 113240024
4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid
CID 64541919
N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 103697673
4-[(2-hydroxy-4,4-dimethylpentyl)carbamoylamino]butanoic acid
CID 122023225
4-(3-hydroxybutylsulfamoyl)butanoic acid
CID 64928300
1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide
CID 103850449
3-(2-hydroxypropylsulfamoyl)propanoic acid
CID 43499066
4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid
CID 104827551
2-[[(3-methoxy-3-oxopropyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474833
methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate
CID 66177756

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid (CID 107151263) is 4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid is CC(C)(C)CC(O)CNS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid?
The InChIKey is JPWOLNXSFZTHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5S/c1-11(2,3)7-9(13)8-12-18(16,17)6-4-5-10(14)15/h9,12-13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid?
4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid has a molecular weight of 281.37 g/mol, XLogP of 0.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 107151263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).