4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid

C10H15NO5S — CID 122068780

IUPAC4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NS(=O)(=O)c1ccoc1
InChIInChI=1S/C10H15NO5S/c1-10(2,5-3-9(12)13)11-17(14,15)8-4-6-16-7-8/h4,6-7,11H,3,5H2,1-2H3,(H,12,13)
InChIKeyYUDCHRRQOKYAPU-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.20
Rot. Bonds6

About 4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid

4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid (PubChem CID 122068780) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid
PubChem CID122068780
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NS(=O)(=O)c1ccoc1
InChIInChI=1S/C10H15NO5S/c1-10(2,5-3-9(12)13)11-17(14,15)8-4-6-16-7-8/h4,6-7,11H,3,5H2,1-2H3,(H,12,13)
InChIKeyYUDCHRRQOKYAPU-UHFFFAOYSA-N
XLogP1.20
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 122068851
4-[(3-bromo-4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 106605335
4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 62044183
4-[(3-bromo-5-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122068864
4-[(4-fluoro-3-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122068854
4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
CID 62043738
4-[(3-fluoro-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122068833
4-[(2-chloro-5-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122068940
4-[(2-bromo-5-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122068939
4-[(3-fluoro-5-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122068903
4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid
CID 55030430
4-methyl-4-[(4-methylphenyl)methylsulfonylamino]pentanoic acid
CID 122068751

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid?
The IUPAC name of 4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid (CID 122068780) is 4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid.
What is the SMILES notation for 4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid?
The canonical SMILES for 4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid is CC(C)(CCC(=O)O)NS(=O)(=O)c1ccoc1.
What is the InChIKey of 4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid?
The InChIKey is YUDCHRRQOKYAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-10(2,5-3-9(12)13)11-17(14,15)8-4-6-16-7-8/h4,6-7,11H,3,5H2,1-2H3,(H,12,13).
What are the key properties of 4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid?
4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid has a molecular weight of 261.30 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 122068780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).