6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride

C14H24ClN3O2S — CID 120722001

IUPAC6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride
SMILESCCCN(C)S(=O)(=O)NC1CCCc2cc(N)ccc21.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-3-9-17(2)20(18,19)16-14-6-4-5-11-10-12(15)7-8-13(11)14;/h7-8,10,14,16H,3-6,9,15H2,1-2H3;1H
InChIKeyOSXWEDGVTLCYNP-UHFFFAOYSA-N
MW333.89 g/mol
LogP2.24
Rot. Bonds5

About 6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride

6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride (PubChem CID 120722001) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is 6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride.

Molecular Properties

Compound Name6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride
PubChem CID120722001
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC Name6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride
SMILESCCCN(C)S(=O)(=O)NC1CCCc2cc(N)ccc21.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-3-9-17(2)20(18,19)16-14-6-4-5-11-10-12(15)7-8-13(11)14;/h7-8,10,14,16H,3-6,9,15H2,1-2H3;1H
InChIKeyOSXWEDGVTLCYNP-UHFFFAOYSA-N
XLogP2.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 120722191
5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene
CID 79723506
6-amino-1-[[benzyl(ethyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene
CID 120722000
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)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722353
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide
CID 105361458
1-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650654
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)but-3-ene-1-sulfonamide;hydrochloride
CID 120722385
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)-2,4,6-trimethylbenzenesulfonamide
CID 120722170
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 120722173
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 120722112

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride?
The IUPAC name of 6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride (CID 120722001) is 6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride.
What is the SMILES notation for 6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride?
The canonical SMILES for 6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride is CCCN(C)S(=O)(=O)NC1CCCc2cc(N)ccc21.Cl.
What is the InChIKey of 6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride?
The InChIKey is OSXWEDGVTLCYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S.ClH/c1-3-9-17(2)20(18,19)16-14-6-4-5-11-10-12(15)7-8-13(11)14;/h7-8,10,14,16H,3-6,9,15H2,1-2H3;1H.
What are the key properties of 6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride?
6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride has a molecular weight of 333.89 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[[methyl(propyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride is sourced from PubChem (CID 120722001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).