2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid

C15H19N3O4S — CID 67365284

IUPAC2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid
SMILESCN(C)c1cccc2c(S(=O)(=O)C(N)(CN)C(=O)O)cccc12
InChIInChI=1S/C15H19N3O4S/c1-18(2)12-7-3-6-11-10(12)5-4-8-13(11)23(21,22)15(17,9-16)14(19)20/h3-8H,9,16-17H2,1-2H3,(H,19,20)
InChIKeyDYDVSIWXTXVLGM-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.38
Rot. Bonds5

About 2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid

2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid (PubChem CID 67365284) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid.

Molecular Properties

Compound Name2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid
PubChem CID67365284
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid
SMILESCN(C)c1cccc2c(S(=O)(=O)C(N)(CN)C(=O)O)cccc12
InChIInChI=1S/C15H19N3O4S/c1-18(2)12-7-3-6-11-10(12)5-4-8-13(11)23(21,22)15(17,9-16)14(19)20/h3-8H,9,16-17H2,1-2H3,(H,19,20)
InChIKeyDYDVSIWXTXVLGM-UHFFFAOYSA-N
XLogP0.38
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoic acid
CID 140556249
1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine
CID 140980037
3-[5-(dimethylamino)naphthalen-1-yl]sulfonyliminopentanedioic acid
CID 10571679
sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride
CID 173060733
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
(2S)-2-[benzyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-methylbutanoic acid
CID 10836847
methyl (2S)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-2-methylpropanoate
CID 100613997
2-[5-(dimethylamino)naphthalen-1-yl]sulfonylethyl carbonochloridate
CID 10991480
4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid
CID 15839021
[5-(dimethylamino)naphthalen-1-yl]sulfonylphosphonic acid
CID 23282453
diethyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanedioate
CID 3860107
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid?
The IUPAC name of 2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid (CID 67365284) is 2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid.
What is the SMILES notation for 2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid?
The canonical SMILES for 2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid is CN(C)c1cccc2c(S(=O)(=O)C(N)(CN)C(=O)O)cccc12.
What is the InChIKey of 2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid?
The InChIKey is DYDVSIWXTXVLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-18(2)12-7-3-6-11-10(12)5-4-8-13(11)23(21,22)15(17,9-16)14(19)20/h3-8H,9,16-17H2,1-2H3,(H,19,20).
What are the key properties of 2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid?
2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid has a molecular weight of 337.40 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid is sourced from PubChem (CID 67365284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).