N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride

C14H21ClN2O2S — CID 120722385

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride
SMILESC=CCCS(=O)(=O)NC1CCCc2cc(N)ccc21.Cl
InChIInChI=1S/C14H20N2O2S.ClH/c1-2-3-9-19(17,18)16-14-6-4-5-11-10-12(15)7-8-13(11)14;/h2,7-8,10,14,16H,1,3-6,9,15H2;1H
InChIKeyAURHLFKRYSQJDZ-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.56
Rot. Bonds5

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride (PubChem CID 120722385) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride
PubChem CID120722385
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride
SMILESC=CCCS(=O)(=O)NC1CCCc2cc(N)ccc21.Cl
InChIInChI=1S/C14H20N2O2S.ClH/c1-2-3-9-19(17,18)16-14-6-4-5-11-10-12(15)7-8-13(11)14;/h2,7-8,10,14,16H,1,3-6,9,15H2;1H
InChIKeyAURHLFKRYSQJDZ-UHFFFAOYSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid
CID 116650192
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-propan-2-yloxyethanesulfonamide
CID 116650215
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
CID 120876305
methyl 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]acetate
CID 116650191
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 120722112
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 120721977
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 120721901
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide
CID 105361458
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722353
6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 120722001
6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 120722191
methyl 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoylmethyl]benzoate;hydrochloride
CID 120722252

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride (CID 120722385) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride is C=CCCS(=O)(=O)NC1CCCc2cc(N)ccc21.Cl.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride?
The InChIKey is AURHLFKRYSQJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S.ClH/c1-2-3-9-19(17,18)16-14-6-4-5-11-10-12(15)7-8-13(11)14;/h2,7-8,10,14,16H,1,3-6,9,15H2;1H.
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride has a molecular weight of 316.85 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120722385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).