N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride

C16H21ClN2O2S2 — CID 120876305

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
SMILESCl.Nc1ccc2c(c1)CCCC2NS(=O)(=O)CCc1cccs1
InChIInChI=1S/C16H20N2O2S2.ClH/c17-13-6-7-15-12(11-13)3-1-5-16(15)18-22(19,20)10-8-14-4-2-9-21-14;/h2,4,6-7,9,11,16,18H,1,3,5,8,10,17H2;1H
InChIKeyHBCSJVNXFCDSHH-UHFFFAOYSA-N
MW372.94 g/mol
LogP3.29
Rot. Bonds5

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride (PubChem CID 120876305) has the molecular formula C16H21ClN2O2S2 and a molecular weight of 372.94 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
PubChem CID120876305
Molecular FormulaC16H21ClN2O2S2
Molecular Weight372.94 g/mol
Exact Mass372.07
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
SMILESCl.Nc1ccc2c(c1)CCCC2NS(=O)(=O)CCc1cccs1
InChIInChI=1S/C16H20N2O2S2.ClH/c17-13-6-7-15-12(11-13)3-1-5-16(15)18-22(19,20)10-8-14-4-2-9-21-14;/h2,4,6-7,9,11,16,18H,1,3,5,8,10,17H2;1H
InChIKeyHBCSJVNXFCDSHH-UHFFFAOYSA-N
XLogP3.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride
CID 120722385
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CID 116650192
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)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 120722112
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)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 120721977
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)cyclopentanesulfonamide
CID 105361458
methyl 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoylmethyl]benzoate;hydrochloride
CID 120722252
methyl 3-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoylmethyl]benzoate
CID 120722237
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
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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride (CID 120876305) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride is Cl.Nc1ccc2c(c1)CCCC2NS(=O)(=O)CCc1cccs1.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride?
The InChIKey is HBCSJVNXFCDSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2.ClH/c17-13-6-7-15-12(11-13)3-1-5-16(15)18-22(19,20)10-8-14-4-2-9-21-14;/h2,4,6-7,9,11,16,18H,1,3,5,8,10,17H2;1H.
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride has a molecular weight of 372.94 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride is sourced from PubChem (CID 120876305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).