2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid

C16H20N2O4S — CID 68798786

IUPAC2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NS(=O)(=O)c1ccc(N)c2ccccc12)C(=O)O
InChIInChI=1S/C16H20N2O4S/c1-10(2)9-14(16(19)20)18-23(21,22)15-8-7-13(17)11-5-3-4-6-12(11)15/h3-8,10,14,18H,9,17H2,1-2H3,(H,19,20)
InChIKeyGYFLIQAXGVVDKK-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.20
Rot. Bonds6

About 2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid

2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 68798786) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid
PubChem CID68798786
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NS(=O)(=O)c1ccc(N)c2ccccc12)C(=O)O
InChIInChI=1S/C16H20N2O4S/c1-10(2)9-14(16(19)20)18-23(21,22)15-8-7-13(17)11-5-3-4-6-12(11)15/h3-8,10,14,18H,9,17H2,1-2H3,(H,19,20)
InChIKeyGYFLIQAXGVVDKK-UHFFFAOYSA-N
XLogP2.20
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-aminonaphthalen-1-yl)sulfonylamino]pentanedioic acid
CID 68818458
2-[[2-[(1-carboxy-3-methylbutyl)sulfamoyl]phenyl]sulfonylamino]-4-methylpentanoic acid
CID 24761708
(2R)-2-(1-benzothiophen-3-ylsulfonylamino)-4-methylpentanoic acid
CID 120968771
(2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 40608062
(2S)-4-methyl-2-[(2-nitrophenyl)sulfonylamino]pentanoic acid
CID 702569
(2R)-2-[(1,2-dimethylindol-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 122069299
2-[(4-aminonaphthalen-1-yl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid;1-chlorohexan-1-amine
CID 69427822
4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide
CID 115944465
2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 43361242
(2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid
CID 61155878
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 7061989
(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828960

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid (CID 68798786) is 2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid is CC(C)CC(NS(=O)(=O)c1ccc(N)c2ccccc12)C(=O)O.
What is the InChIKey of 2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is GYFLIQAXGVVDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-10(2)9-14(16(19)20)18-23(21,22)15-8-7-13(17)11-5-3-4-6-12(11)15/h3-8,10,14,18H,9,17H2,1-2H3,(H,19,20).
What are the key properties of 2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid?
2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid has a molecular weight of 336.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 68798786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).