7-methyl-N-(methylsulfamoyl)octan-1-amine

C10H24N2O2S — CID 146341441

IUPAC7-methyl-N-(methylsulfamoyl)octan-1-amine
SMILESCNS(=O)(=O)NCCCCCCC(C)C
InChIInChI=1S/C10H24N2O2S/c1-10(2)8-6-4-5-7-9-12-15(13,14)11-3/h10-12H,4-9H2,1-3H3
InChIKeyFZCNDWMJSRYWEE-UHFFFAOYSA-N
MW236.38 g/mol
LogP1.65
Rot. Bonds9

About 7-methyl-N-(methylsulfamoyl)octan-1-amine

7-methyl-N-(methylsulfamoyl)octan-1-amine (PubChem CID 146341441) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 7-methyl-N-(methylsulfamoyl)octan-1-amine.

Molecular Properties

Compound Name7-methyl-N-(methylsulfamoyl)octan-1-amine
PubChem CID146341441
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC Name7-methyl-N-(methylsulfamoyl)octan-1-amine
SMILESCNS(=O)(=O)NCCCCCCC(C)C
InChIInChI=1S/C10H24N2O2S/c1-10(2)8-6-4-5-7-9-12-15(13,14)11-3/h10-12H,4-9H2,1-3H3
InChIKeyFZCNDWMJSRYWEE-UHFFFAOYSA-N
XLogP1.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.65
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 7-methyl-N-(methylsulfamoyl)octan-1-amine?
The IUPAC name of 7-methyl-N-(methylsulfamoyl)octan-1-amine (CID 146341441) is 7-methyl-N-(methylsulfamoyl)octan-1-amine.
What is the SMILES notation for 7-methyl-N-(methylsulfamoyl)octan-1-amine?
The canonical SMILES for 7-methyl-N-(methylsulfamoyl)octan-1-amine is CNS(=O)(=O)NCCCCCCC(C)C.
What is the InChIKey of 7-methyl-N-(methylsulfamoyl)octan-1-amine?
The InChIKey is FZCNDWMJSRYWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-10(2)8-6-4-5-7-9-12-15(13,14)11-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 7-methyl-N-(methylsulfamoyl)octan-1-amine?
7-methyl-N-(methylsulfamoyl)octan-1-amine has a molecular weight of 236.38 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(methylsulfamoyl)octan-1-amine is sourced from PubChem (CID 146341441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).