7-(butylsulfonylamino)heptanoic acid

C11H23NO4S — CID 24704780

IUPAC7-(butylsulfonylamino)heptanoic acid
SMILESCCCCS(=O)(=O)NCCCCCCC(=O)O
InChIInChI=1S/C11H23NO4S/c1-2-3-10-17(15,16)12-9-7-5-4-6-8-11(13)14/h12H,2-10H2,1H3,(H,13,14)
InChIKeyUQEOKZIKHHOVIC-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.74
Rot. Bonds11

About 7-(butylsulfonylamino)heptanoic acid

7-(butylsulfonylamino)heptanoic acid (PubChem CID 24704780) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 7-(butylsulfonylamino)heptanoic acid.

Molecular Properties

Compound Name7-(butylsulfonylamino)heptanoic acid
PubChem CID24704780
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name7-(butylsulfonylamino)heptanoic acid
SMILESCCCCS(=O)(=O)NCCCCCCC(=O)O
InChIInChI=1S/C11H23NO4S/c1-2-3-10-17(15,16)12-9-7-5-4-6-8-11(13)14/h12H,2-10H2,1H3,(H,13,14)
InChIKeyUQEOKZIKHHOVIC-UHFFFAOYSA-N
XLogP1.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

11-(octylsulfonylamino)undecanoic acid
CID 4605614
8-(ethylsulfonylamino)octanoic acid
CID 21103229
N-decylbutane-1-sulfonamide
CID 19681427
7-(2-methoxyethylsulfonylamino)heptanoic acid
CID 55010122
18-(butylsulfonylamino)-18-oxooctadecanoic acid
CID 58954514
7-[(5-hydroxy-6,6-dimethyldecyl)sulfonylamino]heptanoic acid
CID 88805495
6-(methylsulfonylmethylsulfonylamino)hexanoic acid
CID 82839698
N-octadecylpropane-1-sulfonamide
CID 88827291
N-(5-bromopentyl)butane-1-sulfonamide
CID 107323070
5-(propylsulfamoylamino)pentanoic acid
CID 114806222
N-(6-iodohexyl)butane-1-sulfonamide
CID 107848989
5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid
CID 161088986

Frequently Asked Questions

What is the IUPAC name of 7-(butylsulfonylamino)heptanoic acid?
The IUPAC name of 7-(butylsulfonylamino)heptanoic acid (CID 24704780) is 7-(butylsulfonylamino)heptanoic acid.
What is the SMILES notation for 7-(butylsulfonylamino)heptanoic acid?
The canonical SMILES for 7-(butylsulfonylamino)heptanoic acid is CCCCS(=O)(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-(butylsulfonylamino)heptanoic acid?
The InChIKey is UQEOKZIKHHOVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-2-3-10-17(15,16)12-9-7-5-4-6-8-11(13)14/h12H,2-10H2,1H3,(H,13,14).
What are the key properties of 7-(butylsulfonylamino)heptanoic acid?
7-(butylsulfonylamino)heptanoic acid has a molecular weight of 265.37 g/mol, XLogP of 1.74, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(butylsulfonylamino)heptanoic acid is sourced from PubChem (CID 24704780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).