2-amino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoic acid

C18H24N2O4S — CID 140556249

IUPAC2-amino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoic acid
SMILESCCCCC(N)(C(=O)O)S(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H24N2O4S/c1-4-5-12-18(19,17(21)22)25(23,24)16-11-7-8-13-14(16)9-6-10-15(13)20(2)3/h6-11H,4-5,12,19H2,1-3H3,(H,21,22)
InChIKeySNCDOENYHHHRJP-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.61
Rot. Bonds7

About 2-amino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoic acid

2-amino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoic acid (PubChem CID 140556249) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-amino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoic acid.

Molecular Properties

Compound Name2-amino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoic acid
PubChem CID140556249
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name2-amino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoic acid
SMILESCCCCC(N)(C(=O)O)S(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H24N2O4S/c1-4-5-12-18(19,17(21)22)25(23,24)16-11-7-8-13-14(16)9-6-10-15(13)20(2)3/h6-11H,4-5,12,19H2,1-3H3,(H,21,22)
InChIKeySNCDOENYHHHRJP-UHFFFAOYSA-N
XLogP2.61
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-diamino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropanoic acid
CID 67365284
1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine
CID 140980037
2,6-diamino-2-(2-methylphenyl)sulfonylhexanoic acid
CID 174493821
(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid
CID 14029644
butyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 46854645
[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino] undecanoate
CID 57013065
diethyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanedioate
CID 3860107
3-[5-(dimethylamino)naphthalen-1-yl]sulfonyliminopentanedioic acid
CID 10571679
sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride
CID 173060733
ethyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 14290422
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
2-[3-[3-[carboxymethyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propyl-methylamino]propyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetic acid;ethane
CID 142835532

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoic acid?
The IUPAC name of 2-amino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoic acid (CID 140556249) is 2-amino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoic acid.
What is the SMILES notation for 2-amino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoic acid?
The canonical SMILES for 2-amino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoic acid is CCCCC(N)(C(=O)O)S(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of 2-amino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoic acid?
The InChIKey is SNCDOENYHHHRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-4-5-12-18(19,17(21)22)25(23,24)16-11-7-8-13-14(16)9-6-10-15(13)20(2)3/h6-11H,4-5,12,19H2,1-3H3,(H,21,22).
What are the key properties of 2-amino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoic acid?
2-amino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoic acid has a molecular weight of 364.47 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoic acid is sourced from PubChem (CID 140556249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).