(E)-N-ethyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine

C11H23NO2S — CID 90058859

IUPAC(E)-N-ethyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine
SMILESCC/C=C/CN(CC)CCCS(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-4-6-7-9-12(5-2)10-8-11-15(3,13)14/h6-7H,4-5,8-11H2,1-3H3/b7-6+
InChIKeyQDGNCCBSDBPWEC-VOTSOKGWSA-N
MW233.38 g/mol
LogP1.71
Rot. Bonds8

About (E)-N-ethyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine

(E)-N-ethyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine (PubChem CID 90058859) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is (E)-N-ethyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine
PubChem CID90058859
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name(E)-N-ethyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine
SMILESCC/C=C/CN(CC)CCCS(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-4-6-7-9-12(5-2)10-8-11-15(3,13)14/h6-7H,4-5,8-11H2,1-3H3/b7-6+
InChIKeyQDGNCCBSDBPWEC-VOTSOKGWSA-N
XLogP1.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine?
The IUPAC name of (E)-N-ethyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine (CID 90058859) is (E)-N-ethyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine?
The canonical SMILES for (E)-N-ethyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine is CC/C=C/CN(CC)CCCS(C)(=O)=O.
What is the InChIKey of (E)-N-ethyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine?
The InChIKey is QDGNCCBSDBPWEC-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-6-7-9-12(5-2)10-8-11-15(3,13)14/h6-7H,4-5,8-11H2,1-3H3/b7-6+.
What are the key properties of (E)-N-ethyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine?
(E)-N-ethyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine is sourced from PubChem (CID 90058859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).