1-ethoxy-4-[(sulfinatoamino)methyl]naphthalene

C13H14NO3S- — CID 67383708

IUPAC1-ethoxy-4-[(sulfinatoamino)methyl]naphthalene
SMILESCCOc1ccc(CNS(=O)[O-])c2ccccc12
InChIInChI=1S/C13H15NO3S/c1-2-17-13-8-7-10(9-14-18(15)16)11-5-3-4-6-12(11)13/h3-8,14H,2,9H2,1H3,(H,15,16)/p-1
InChIKeyYCKKBSWQDBCDHO-UHFFFAOYSA-M
MW264.33 g/mol
LogP2.12
Rot. Bonds5

About 1-ethoxy-4-[(sulfinatoamino)methyl]naphthalene

1-ethoxy-4-[(sulfinatoamino)methyl]naphthalene (PubChem CID 67383708) has the molecular formula C13H14NO3S- and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-ethoxy-4-[(sulfinatoamino)methyl]naphthalene.

Molecular Properties

Compound Name1-ethoxy-4-[(sulfinatoamino)methyl]naphthalene
PubChem CID67383708
Molecular FormulaC13H14NO3S-
Molecular Weight264.33 g/mol
Exact Mass264.07
IUPAC Name1-ethoxy-4-[(sulfinatoamino)methyl]naphthalene
SMILESCCOc1ccc(CNS(=O)[O-])c2ccccc12
InChIInChI=1S/C13H15NO3S/c1-2-17-13-8-7-10(9-14-18(15)16)11-5-3-4-6-12(11)13/h3-8,14H,2,9H2,1H3,(H,15,16)/p-1
InChIKeyYCKKBSWQDBCDHO-UHFFFAOYSA-M
XLogP2.12
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263179
4-(4-ethoxynaphthalen-1-yl)butanoic acid
CID 82263167
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
(4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate
CID 88736257
1-ethyl-4-(3-fluoropropoxy)naphthalene
CID 172595334
N,N'-bis[(4-propoxynaphthalen-1-yl)methyl]hexane-1,6-diamine;methanesulfonic acid
CID 44531924
2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate
CID 5046040
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
4-ethoxynaphthalene-1-carboxamide;fluoromethane
CID 143061073
sodium;4-ethoxynaphthalene-1-sulfonic acid;hydride
CID 173109617
1-ethoxyphenanthrene
CID 19828992
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[(sulfinatoamino)methyl]naphthalene?
The IUPAC name of 1-ethoxy-4-[(sulfinatoamino)methyl]naphthalene (CID 67383708) is 1-ethoxy-4-[(sulfinatoamino)methyl]naphthalene.
What is the SMILES notation for 1-ethoxy-4-[(sulfinatoamino)methyl]naphthalene?
The canonical SMILES for 1-ethoxy-4-[(sulfinatoamino)methyl]naphthalene is CCOc1ccc(CNS(=O)[O-])c2ccccc12.
What is the InChIKey of 1-ethoxy-4-[(sulfinatoamino)methyl]naphthalene?
The InChIKey is YCKKBSWQDBCDHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H15NO3S/c1-2-17-13-8-7-10(9-14-18(15)16)11-5-3-4-6-12(11)13/h3-8,14H,2,9H2,1H3,(H,15,16)/p-1.
What are the key properties of 1-ethoxy-4-[(sulfinatoamino)methyl]naphthalene?
1-ethoxy-4-[(sulfinatoamino)methyl]naphthalene has a molecular weight of 264.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[(sulfinatoamino)methyl]naphthalene is sourced from PubChem (CID 67383708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).