N-(octylsulfamoyl)octan-1-amine

C16H36N2O2S — CID 23323941

IUPACN-(octylsulfamoyl)octan-1-amine
SMILESCCCCCCCCNS(=O)(=O)NCCCCCCCC
InChIInChI=1S/C16H36N2O2S/c1-3-5-7-9-11-13-15-17-21(19,20)18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
InChIKeyFGQQABQVJQNVGF-UHFFFAOYSA-N
MW320.54 g/mol
LogP4.13
Rot. Bonds16

About N-(octylsulfamoyl)octan-1-amine

N-(octylsulfamoyl)octan-1-amine (PubChem CID 23323941) has the molecular formula C16H36N2O2S and a molecular weight of 320.54 g/mol. Its IUPAC name is N-(octylsulfamoyl)octan-1-amine.

Molecular Properties

Compound NameN-(octylsulfamoyl)octan-1-amine
PubChem CID23323941
Molecular FormulaC16H36N2O2S
Molecular Weight320.54 g/mol
Exact Mass320.25
IUPAC NameN-(octylsulfamoyl)octan-1-amine
SMILESCCCCCCCCNS(=O)(=O)NCCCCCCCC
InChIInChI=1S/C16H36N2O2S/c1-3-5-7-9-11-13-15-17-21(19,20)18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
InChIKeyFGQQABQVJQNVGF-UHFFFAOYSA-N
XLogP4.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.54
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(octylsulfamoyl)octan-1-amine?
The IUPAC name of N-(octylsulfamoyl)octan-1-amine (CID 23323941) is N-(octylsulfamoyl)octan-1-amine.
What is the SMILES notation for N-(octylsulfamoyl)octan-1-amine?
The canonical SMILES for N-(octylsulfamoyl)octan-1-amine is CCCCCCCCNS(=O)(=O)NCCCCCCCC.
What is the InChIKey of N-(octylsulfamoyl)octan-1-amine?
The InChIKey is FGQQABQVJQNVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O2S/c1-3-5-7-9-11-13-15-17-21(19,20)18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3.
What are the key properties of N-(octylsulfamoyl)octan-1-amine?
N-(octylsulfamoyl)octan-1-amine has a molecular weight of 320.54 g/mol, XLogP of 4.13, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(octylsulfamoyl)octan-1-amine is sourced from PubChem (CID 23323941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).