4-(cyclohexylsulfonylamino)butanoic acid

C10H19NO4S — CID 61065822

IUPAC4-(cyclohexylsulfonylamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H19NO4S/c12-10(13)7-4-8-11-16(14,15)9-5-2-1-3-6-9/h9,11H,1-8H2,(H,12,13)
InChIKeyIKQBOBLNYSXZPQ-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.10
Rot. Bonds6

About 4-(cyclohexylsulfonylamino)butanoic acid

4-(cyclohexylsulfonylamino)butanoic acid (PubChem CID 61065822) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-(cyclohexylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name4-(cyclohexylsulfonylamino)butanoic acid
PubChem CID61065822
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name4-(cyclohexylsulfonylamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H19NO4S/c12-10(13)7-4-8-11-16(14,15)9-5-2-1-3-6-9/h9,11H,1-8H2,(H,12,13)
InChIKeyIKQBOBLNYSXZPQ-UHFFFAOYSA-N
XLogP1.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.10
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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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylsulfonylamino)butanoic acid?
The IUPAC name of 4-(cyclohexylsulfonylamino)butanoic acid (CID 61065822) is 4-(cyclohexylsulfonylamino)butanoic acid.
What is the SMILES notation for 4-(cyclohexylsulfonylamino)butanoic acid?
The canonical SMILES for 4-(cyclohexylsulfonylamino)butanoic acid is O=C(O)CCCNS(=O)(=O)C1CCCCC1.
What is the InChIKey of 4-(cyclohexylsulfonylamino)butanoic acid?
The InChIKey is IKQBOBLNYSXZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c12-10(13)7-4-8-11-16(14,15)9-5-2-1-3-6-9/h9,11H,1-8H2,(H,12,13).
What are the key properties of 4-(cyclohexylsulfonylamino)butanoic acid?
4-(cyclohexylsulfonylamino)butanoic acid has a molecular weight of 249.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylsulfonylamino)butanoic acid is sourced from PubChem (CID 61065822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).