N-[3-(1-adamantyloxy)propylsulfamoyl]aniline

C19H28N2O3S — CID 134195106

IUPACN-[3-(1-adamantyloxy)propylsulfamoyl]aniline
SMILESO=S(=O)(NCCCOC12CC3CC(CC(C3)C1)C2)Nc1ccccc1
InChIInChI=1S/C19H28N2O3S/c22-25(23,21-18-5-2-1-3-6-18)20-7-4-8-24-19-12-15-9-16(13-19)11-17(10-15)14-19/h1-3,5-6,15-17,20-21H,4,7-14H2
InChIKeyIRVWGEBROWEYKE-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.31
Rot. Bonds8

About N-[3-(1-adamantyloxy)propylsulfamoyl]aniline

N-[3-(1-adamantyloxy)propylsulfamoyl]aniline (PubChem CID 134195106) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-[3-(1-adamantyloxy)propylsulfamoyl]aniline.

Molecular Properties

Compound NameN-[3-(1-adamantyloxy)propylsulfamoyl]aniline
PubChem CID134195106
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-[3-(1-adamantyloxy)propylsulfamoyl]aniline
SMILESO=S(=O)(NCCCOC12CC3CC(CC(C3)C1)C2)Nc1ccccc1
InChIInChI=1S/C19H28N2O3S/c22-25(23,21-18-5-2-1-3-6-18)20-7-4-8-24-19-12-15-9-16(13-19)11-17(10-15)14-19/h1-3,5-6,15-17,20-21H,4,7-14H2
InChIKeyIRVWGEBROWEYKE-UHFFFAOYSA-N
XLogP3.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-adamantyloxy)propylsulfamoyl]aniline?
The IUPAC name of N-[3-(1-adamantyloxy)propylsulfamoyl]aniline (CID 134195106) is N-[3-(1-adamantyloxy)propylsulfamoyl]aniline.
What is the SMILES notation for N-[3-(1-adamantyloxy)propylsulfamoyl]aniline?
The canonical SMILES for N-[3-(1-adamantyloxy)propylsulfamoyl]aniline is O=S(=O)(NCCCOC12CC3CC(CC(C3)C1)C2)Nc1ccccc1.
What is the InChIKey of N-[3-(1-adamantyloxy)propylsulfamoyl]aniline?
The InChIKey is IRVWGEBROWEYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c22-25(23,21-18-5-2-1-3-6-18)20-7-4-8-24-19-12-15-9-16(13-19)11-17(10-15)14-19/h1-3,5-6,15-17,20-21H,4,7-14H2.
What are the key properties of N-[3-(1-adamantyloxy)propylsulfamoyl]aniline?
N-[3-(1-adamantyloxy)propylsulfamoyl]aniline has a molecular weight of 364.51 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-adamantyloxy)propylsulfamoyl]aniline is sourced from PubChem (CID 134195106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).