5-(butylsulfonylamino)-4-methylpentanoic acid

C10H21NO4S — CID 82016892

IUPAC5-(butylsulfonylamino)-4-methylpentanoic acid
SMILESCCCCS(=O)(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C10H21NO4S/c1-3-4-7-16(14,15)11-8-9(2)5-6-10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyBTFREZSOPKRIDT-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.21
Rot. Bonds9

About 5-(butylsulfonylamino)-4-methylpentanoic acid

5-(butylsulfonylamino)-4-methylpentanoic acid (PubChem CID 82016892) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 5-(butylsulfonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name5-(butylsulfonylamino)-4-methylpentanoic acid
PubChem CID82016892
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name5-(butylsulfonylamino)-4-methylpentanoic acid
SMILESCCCCS(=O)(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C10H21NO4S/c1-3-4-7-16(14,15)11-8-9(2)5-6-10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyBTFREZSOPKRIDT-UHFFFAOYSA-N
XLogP1.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid
CID 82684266
7-(butylsulfonylamino)heptanoic acid
CID 24704780
3-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]propanoic acid
CID 63964847
4,8-dimethyldodecanoic acid
CID 5282617
ethane;4-methyloctanoic acid
CID 171811977
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid
CID 62991707
3-(2-hydroxypropylsulfamoyl)propanoic acid
CID 43499066
N-(4-chloro-2-methylbutyl)propane-1-sulfonamide
CID 66089022
4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid
CID 64541919
5-[(2-butylsulfanylacetyl)amino]-4-methylpentanoic acid
CID 82009881
4-methyltetradecanoic acid
CID 23454322
N-[2-(diethylamino)propyl]butane-1-sulfonamide
CID 112502209

Frequently Asked Questions

What is the IUPAC name of 5-(butylsulfonylamino)-4-methylpentanoic acid?
The IUPAC name of 5-(butylsulfonylamino)-4-methylpentanoic acid (CID 82016892) is 5-(butylsulfonylamino)-4-methylpentanoic acid.
What is the SMILES notation for 5-(butylsulfonylamino)-4-methylpentanoic acid?
The canonical SMILES for 5-(butylsulfonylamino)-4-methylpentanoic acid is CCCCS(=O)(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 5-(butylsulfonylamino)-4-methylpentanoic acid?
The InChIKey is BTFREZSOPKRIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-3-4-7-16(14,15)11-8-9(2)5-6-10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 5-(butylsulfonylamino)-4-methylpentanoic acid?
5-(butylsulfonylamino)-4-methylpentanoic acid has a molecular weight of 251.35 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylsulfonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 82016892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).