6-amino-1-[[benzyl(ethyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene

C19H25N3O2S — CID 120722000

IUPAC6-amino-1-[[benzyl(ethyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene
SMILESCCN(Cc1ccccc1)S(=O)(=O)NC1CCCc2cc(N)ccc21
InChIInChI=1S/C19H25N3O2S/c1-2-22(14-15-7-4-3-5-8-15)25(23,24)21-19-10-6-9-16-13-17(20)11-12-18(16)19/h3-5,7-8,11-13,19,21H,2,6,9-10,14,20H2,1H3
InChIKeyWCJJGWGASLDVBZ-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.00
Rot. Bonds6

About 6-amino-1-[[benzyl(ethyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene

6-amino-1-[[benzyl(ethyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene (PubChem CID 120722000) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 6-amino-1-[[benzyl(ethyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-amino-1-[[benzyl(ethyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene
PubChem CID120722000
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name6-amino-1-[[benzyl(ethyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene
SMILESCCN(Cc1ccccc1)S(=O)(=O)NC1CCCc2cc(N)ccc21
InChIInChI=1S/C19H25N3O2S/c1-2-22(14-15-7-4-3-5-8-15)25(23,24)21-19-10-6-9-16-13-17(20)11-12-18(16)19/h3-5,7-8,11-13,19,21H,2,6,9-10,14,20H2,1H3
InChIKeyWCJJGWGASLDVBZ-UHFFFAOYSA-N
XLogP3.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[[benzyl(ethyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-amino-1-[[benzyl(ethyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene (CID 120722000) is 6-amino-1-[[benzyl(ethyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-amino-1-[[benzyl(ethyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-amino-1-[[benzyl(ethyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene is CCN(Cc1ccccc1)S(=O)(=O)NC1CCCc2cc(N)ccc21.
What is the InChIKey of 6-amino-1-[[benzyl(ethyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WCJJGWGASLDVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-2-22(14-15-7-4-3-5-8-15)25(23,24)21-19-10-6-9-16-13-17(20)11-12-18(16)19/h3-5,7-8,11-13,19,21H,2,6,9-10,14,20H2,1H3.
What are the key properties of 6-amino-1-[[benzyl(ethyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene?
6-amino-1-[[benzyl(ethyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 359.50 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[[benzyl(ethyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 120722000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).