1-[[ethyl(sulfinato)amino]methyl]naphthalene

C13H14NO2S- — CID 174765625

IUPAC1-[[ethyl(sulfinato)amino]methyl]naphthalene
SMILESCCN(Cc1cccc2ccccc12)S(=O)[O-]
InChIInChI=1S/C13H15NO2S/c1-2-14(17(15)16)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3,(H,15,16)/p-1
InChIKeyNLHSLOUNWZXMGX-UHFFFAOYSA-M
MW248.33 g/mol
LogP2.46
Rot. Bonds4

About 1-[[ethyl(sulfinato)amino]methyl]naphthalene

1-[[ethyl(sulfinato)amino]methyl]naphthalene (PubChem CID 174765625) has the molecular formula C13H14NO2S- and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[[ethyl(sulfinato)amino]methyl]naphthalene.

Molecular Properties

Compound Name1-[[ethyl(sulfinato)amino]methyl]naphthalene
PubChem CID174765625
Molecular FormulaC13H14NO2S-
Molecular Weight248.33 g/mol
Exact Mass248.08
IUPAC Name1-[[ethyl(sulfinato)amino]methyl]naphthalene
SMILESCCN(Cc1cccc2ccccc12)S(=O)[O-]
InChIInChI=1S/C13H15NO2S/c1-2-14(17(15)16)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3,(H,15,16)/p-1
InChIKeyNLHSLOUNWZXMGX-UHFFFAOYSA-M
XLogP2.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;1-ethylnaphthalene
CID 19048185
sodium;1-ethylnaphthalene;hydride
CID 174300793
N-methanidyl-N-methyl-1-naphthalen-1-ylmethanamine
CID 20723537
1-naphthalen-1-yl-N,N-bis(trimethylsilyl)methanamine
CID 11779651
1-ethylnaphthalene;pyrene
CID 174849884
sodium;1-ethylnaphthalene;phenoxide
CID 159168482
N-(dimethylsulfamoyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 47319808
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
CID 115193849
N-(naphthalen-1-ylmethyl)-N-phenylaniline
CID 11088172
1,2-dimethylnaphthalene;1-ethylnaphthalene
CID 158986916
2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine
CID 84746535
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
CID 43458604

Frequently Asked Questions

What is the IUPAC name of 1-[[ethyl(sulfinato)amino]methyl]naphthalene?
The IUPAC name of 1-[[ethyl(sulfinato)amino]methyl]naphthalene (CID 174765625) is 1-[[ethyl(sulfinato)amino]methyl]naphthalene.
What is the SMILES notation for 1-[[ethyl(sulfinato)amino]methyl]naphthalene?
The canonical SMILES for 1-[[ethyl(sulfinato)amino]methyl]naphthalene is CCN(Cc1cccc2ccccc12)S(=O)[O-].
What is the InChIKey of 1-[[ethyl(sulfinato)amino]methyl]naphthalene?
The InChIKey is NLHSLOUNWZXMGX-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H15NO2S/c1-2-14(17(15)16)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3,(H,15,16)/p-1.
What are the key properties of 1-[[ethyl(sulfinato)amino]methyl]naphthalene?
1-[[ethyl(sulfinato)amino]methyl]naphthalene has a molecular weight of 248.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethyl(sulfinato)amino]methyl]naphthalene is sourced from PubChem (CID 174765625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).