N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride

C15H25ClN2O3S — CID 120717803

IUPACN-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccc2c(c1)CCCC2.Cl
InChIInChI=1S/C15H24N2O3S.ClH/c1-20-11-10-16-8-9-17-21(18,19)15-7-6-13-4-2-3-5-14(13)12-15;/h6-7,12,16-17H,2-5,8-11H2,1H3;1H
InChIKeyBIPGVZPMYHUDKV-UHFFFAOYSA-N
MW348.90 g/mol
LogP1.50
Rot. Bonds8

About N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride

N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride (PubChem CID 120717803) has the molecular formula C15H25ClN2O3S and a molecular weight of 348.90 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
PubChem CID120717803
Molecular FormulaC15H25ClN2O3S
Molecular Weight348.90 g/mol
Exact Mass348.13
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccc2c(c1)CCCC2.Cl
InChIInChI=1S/C15H24N2O3S.ClH/c1-20-11-10-16-8-9-17-21(18,19)15-7-6-13-4-2-3-5-14(13)12-15;/h6-7,12,16-17H,2-5,8-11H2,1H3;1H
InChIKeyBIPGVZPMYHUDKV-UHFFFAOYSA-N
XLogP1.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 83038916
N-(3-hydroxy-4-methoxybutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 103875971
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate
CID 7829779
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595
N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
CID 120717558
N-[2-(2-methoxyethylamino)ethyl]naphthalene-2-sulfonamide
CID 83036908
N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 120717422
N-[2-(2-methoxyethylamino)ethyl]-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 120717658
3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039010
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694
5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride
CID 120717421
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride (CID 120717803) is N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1ccc2c(c1)CCCC2.Cl.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride?
The InChIKey is BIPGVZPMYHUDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S.ClH/c1-20-11-10-16-8-9-17-21(18,19)15-7-6-13-4-2-3-5-14(13)12-15;/h6-7,12,16-17H,2-5,8-11H2,1H3;1H.
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride?
N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride has a molecular weight of 348.90 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120717803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).