4-(propan-2-ylsulfonylamino)butanoic acid

C7H15NO4S — CID 60858637

IUPAC4-(propan-2-ylsulfonylamino)butanoic acid
SMILESCC(C)S(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C7H15NO4S/c1-6(2)13(11,12)8-5-3-4-7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyGXWDHCBZLSWFOX-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.18
Rot. Bonds6

About 4-(propan-2-ylsulfonylamino)butanoic acid

4-(propan-2-ylsulfonylamino)butanoic acid (PubChem CID 60858637) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-(propan-2-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name4-(propan-2-ylsulfonylamino)butanoic acid
PubChem CID60858637
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name4-(propan-2-ylsulfonylamino)butanoic acid
SMILESCC(C)S(=O)(=O)NCCCC(=O)O
InChIInChI=1S/C7H15NO4S/c1-6(2)13(11,12)8-5-3-4-7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyGXWDHCBZLSWFOX-UHFFFAOYSA-N
XLogP0.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.18
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

Sodium 4-methanesulfonamidobutanoate
CID 23522414
4-[(Methylsulfonyl)amino]butanoic acid
CID 7446982
4-(2,2,2-Trifluoroethylsulfonylamino)butanoic acid
CID 120605755
3-Ethanesulfonamidopropanoic acid
CID 16228229
4-(Ethenylsulfonylamino)butanoic acid
CID 155931132
4-(4,4,4-Trifluorobutylsulfonylamino)butanoic acid
CID 83068838
4-(3-Fluoropropylsulfonylamino)butanoic acid
CID 120081507
4-(1,1,1-Trifluoropropan-2-ylsulfonylamino)butanoic acid
CID 120393912
4-(4-Fluorobutylsulfonylamino)butanoic acid
CID 121617567
4-(Methanesulfonamido)butanoate
CID 7446981
4-Amino-5-sulfopentanoic acid
CID 15294689
3-(Butane-1-sulfonamido)propanoic acid
CID 16228485

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylsulfonylamino)butanoic acid?
The IUPAC name of 4-(propan-2-ylsulfonylamino)butanoic acid (CID 60858637) is 4-(propan-2-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 4-(propan-2-ylsulfonylamino)butanoic acid?
The canonical SMILES for 4-(propan-2-ylsulfonylamino)butanoic acid is CC(C)S(=O)(=O)NCCCC(=O)O.
What is the InChIKey of 4-(propan-2-ylsulfonylamino)butanoic acid?
The InChIKey is GXWDHCBZLSWFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-6(2)13(11,12)8-5-3-4-7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 4-(propan-2-ylsulfonylamino)butanoic acid?
4-(propan-2-ylsulfonylamino)butanoic acid has a molecular weight of 209.27 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 60858637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).