ethyl 5-(dimethylamino)naphthalene-1-sulfonate

C14H17NO3S — CID 14290422

IUPACethyl 5-(dimethylamino)naphthalene-1-sulfonate
SMILESCCOS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C14H17NO3S/c1-4-18-19(16,17)14-10-6-7-11-12(14)8-5-9-13(11)15(2)3/h5-10H,4H2,1-3H3
InChIKeyZTKAWFKNRBKEAM-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.63
Rot. Bonds4

About ethyl 5-(dimethylamino)naphthalene-1-sulfonate

ethyl 5-(dimethylamino)naphthalene-1-sulfonate (PubChem CID 14290422) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl 5-(dimethylamino)naphthalene-1-sulfonate.

Molecular Properties

Compound Nameethyl 5-(dimethylamino)naphthalene-1-sulfonate
PubChem CID14290422
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Nameethyl 5-(dimethylamino)naphthalene-1-sulfonate
SMILESCCOS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C14H17NO3S/c1-4-18-19(16,17)14-10-6-7-11-12(14)8-5-9-13(11)15(2)3/h5-10H,4H2,1-3H3
InChIKeyZTKAWFKNRBKEAM-UHFFFAOYSA-N
XLogP2.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

butyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 46854645
6-bromohexyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 170856976
phenyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 598567
[3-[5-(dimethylamino)naphthalen-1-yl]sulfonyloxyphenyl] 5-(dimethylamino)naphthalene-1-sulfonate
CID 598472
diethyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanedioate
CID 3860107
[26,27,28-tris[[5-(dimethylamino)naphthalen-1-yl]sulfonyloxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl] 5-(dimethylamino)naphthalene-1-sulfonate
CID 25199387
2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile
CID 175383513
(11-isocyano-11-methyldodecyl) 5-(dimethylamino)naphthalene-1-sulfonate
CID 59859524
sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride
CID 173060733
(2-amino-1-phenylethyl) 5-(dimethylamino)naphthalene-1-sulfonate
CID 598487
5-(11-methoxyundecylsulfonyl)-N,N-dimethylnaphthalen-1-amine
CID 58247277
2-[5-(dimethylamino)naphthalen-1-yl]sulfonylethyl carbonochloridate
CID 10991480

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylamino)naphthalene-1-sulfonate?
The IUPAC name of ethyl 5-(dimethylamino)naphthalene-1-sulfonate (CID 14290422) is ethyl 5-(dimethylamino)naphthalene-1-sulfonate.
What is the SMILES notation for ethyl 5-(dimethylamino)naphthalene-1-sulfonate?
The canonical SMILES for ethyl 5-(dimethylamino)naphthalene-1-sulfonate is CCOS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of ethyl 5-(dimethylamino)naphthalene-1-sulfonate?
The InChIKey is ZTKAWFKNRBKEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-4-18-19(16,17)14-10-6-7-11-12(14)8-5-9-13(11)15(2)3/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 5-(dimethylamino)naphthalene-1-sulfonate?
ethyl 5-(dimethylamino)naphthalene-1-sulfonate has a molecular weight of 279.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylamino)naphthalene-1-sulfonate is sourced from PubChem (CID 14290422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).