N,2-dimethyl-2-methylsulfonyloct-7-en-3-amine

C11H23NO2S — CID 104986896

IUPACN,2-dimethyl-2-methylsulfonyloct-7-en-3-amine
SMILESC=CCCCC(NC)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-6-7-8-9-10(12-4)11(2,3)15(5,13)14/h6,10,12H,1,7-9H2,2-5H3
InChIKeyWMHGJHBZCOGQPY-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.75
Rot. Bonds7

About N,2-dimethyl-2-methylsulfonyloct-7-en-3-amine

N,2-dimethyl-2-methylsulfonyloct-7-en-3-amine (PubChem CID 104986896) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N,2-dimethyl-2-methylsulfonyloct-7-en-3-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-methylsulfonyloct-7-en-3-amine
PubChem CID104986896
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN,2-dimethyl-2-methylsulfonyloct-7-en-3-amine
SMILESC=CCCCC(NC)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-6-7-8-9-10(12-4)11(2,3)15(5,13)14/h6,10,12H,1,7-9H2,2-5H3
InChIKeyWMHGJHBZCOGQPY-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-methylsulfonyloct-7-en-3-amine?
The IUPAC name of N,2-dimethyl-2-methylsulfonyloct-7-en-3-amine (CID 104986896) is N,2-dimethyl-2-methylsulfonyloct-7-en-3-amine.
What is the SMILES notation for N,2-dimethyl-2-methylsulfonyloct-7-en-3-amine?
The canonical SMILES for N,2-dimethyl-2-methylsulfonyloct-7-en-3-amine is C=CCCCC(NC)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N,2-dimethyl-2-methylsulfonyloct-7-en-3-amine?
The InChIKey is WMHGJHBZCOGQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-6-7-8-9-10(12-4)11(2,3)15(5,13)14/h6,10,12H,1,7-9H2,2-5H3.
What are the key properties of N,2-dimethyl-2-methylsulfonyloct-7-en-3-amine?
N,2-dimethyl-2-methylsulfonyloct-7-en-3-amine has a molecular weight of 233.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-methylsulfonyloct-7-en-3-amine is sourced from PubChem (CID 104986896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).