7-methylsulfonyl-N-propylhept-3-en-1-amine

C11H23NO2S — CID 79589807

IUPAC7-methylsulfonyl-N-propylhept-3-en-1-amine
SMILESCCCNCCC=CCCCS(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-3-9-12-10-7-5-4-6-8-11-15(2,13)14/h4-5,12H,3,6-11H2,1-2H3
InChIKeyVBQIOQMTKVCWMO-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.76
Rot. Bonds9

About 7-methylsulfonyl-N-propylhept-3-en-1-amine

7-methylsulfonyl-N-propylhept-3-en-1-amine (PubChem CID 79589807) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 7-methylsulfonyl-N-propylhept-3-en-1-amine.

Molecular Properties

Compound Name7-methylsulfonyl-N-propylhept-3-en-1-amine
PubChem CID79589807
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name7-methylsulfonyl-N-propylhept-3-en-1-amine
SMILESCCCNCCC=CCCCS(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-3-9-12-10-7-5-4-6-8-11-15(2,13)14/h4-5,12H,3,6-11H2,1-2H3
InChIKeyVBQIOQMTKVCWMO-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.76
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 7-methylsulfonyl-N-propylhept-3-en-1-amine?
The IUPAC name of 7-methylsulfonyl-N-propylhept-3-en-1-amine (CID 79589807) is 7-methylsulfonyl-N-propylhept-3-en-1-amine.
What is the SMILES notation for 7-methylsulfonyl-N-propylhept-3-en-1-amine?
The canonical SMILES for 7-methylsulfonyl-N-propylhept-3-en-1-amine is CCCNCCC=CCCCS(C)(=O)=O.
What is the InChIKey of 7-methylsulfonyl-N-propylhept-3-en-1-amine?
The InChIKey is VBQIOQMTKVCWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-9-12-10-7-5-4-6-8-11-15(2,13)14/h4-5,12H,3,6-11H2,1-2H3.
What are the key properties of 7-methylsulfonyl-N-propylhept-3-en-1-amine?
7-methylsulfonyl-N-propylhept-3-en-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-N-propylhept-3-en-1-amine is sourced from PubChem (CID 79589807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).