(2E,4E)-2-ethenyl-5-ethylsulfonylhexa-2,4-dien-1-amine

C10H17NO2S — CID 129034983

IUPAC(2E,4E)-2-ethenyl-5-ethylsulfonylhexa-2,4-dien-1-amine
SMILESC=C/C(=C\C=C(/C)S(=O)(=O)CC)CN
InChIInChI=1S/C10H17NO2S/c1-4-10(8-11)7-6-9(3)14(12,13)5-2/h4,6-7H,1,5,8,11H2,2-3H3/b9-6+,10-7+
InChIKeyDMPFHSSSJMFFDC-KZZDLZNXSA-N
MW215.32 g/mol
LogP1.40
Rot. Bonds5

About (2E,4E)-2-ethenyl-5-ethylsulfonylhexa-2,4-dien-1-amine

(2E,4E)-2-ethenyl-5-ethylsulfonylhexa-2,4-dien-1-amine (PubChem CID 129034983) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is (2E,4E)-2-ethenyl-5-ethylsulfonylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-2-ethenyl-5-ethylsulfonylhexa-2,4-dien-1-amine
PubChem CID129034983
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name(2E,4E)-2-ethenyl-5-ethylsulfonylhexa-2,4-dien-1-amine
SMILESC=C/C(=C\C=C(/C)S(=O)(=O)CC)CN
InChIInChI=1S/C10H17NO2S/c1-4-10(8-11)7-6-9(3)14(12,13)5-2/h4,6-7H,1,5,8,11H2,2-3H3/b9-6+,10-7+
InChIKeyDMPFHSSSJMFFDC-KZZDLZNXSA-N
XLogP1.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-ethenyl-5-ethylsulfonylhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-2-ethenyl-5-ethylsulfonylhexa-2,4-dien-1-amine (CID 129034983) is (2E,4E)-2-ethenyl-5-ethylsulfonylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-2-ethenyl-5-ethylsulfonylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-2-ethenyl-5-ethylsulfonylhexa-2,4-dien-1-amine is C=C/C(=C\C=C(/C)S(=O)(=O)CC)CN.
What is the InChIKey of (2E,4E)-2-ethenyl-5-ethylsulfonylhexa-2,4-dien-1-amine?
The InChIKey is DMPFHSSSJMFFDC-KZZDLZNXSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-4-10(8-11)7-6-9(3)14(12,13)5-2/h4,6-7H,1,5,8,11H2,2-3H3/b9-6+,10-7+.
What are the key properties of (2E,4E)-2-ethenyl-5-ethylsulfonylhexa-2,4-dien-1-amine?
(2E,4E)-2-ethenyl-5-ethylsulfonylhexa-2,4-dien-1-amine has a molecular weight of 215.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-ethenyl-5-ethylsulfonylhexa-2,4-dien-1-amine is sourced from PubChem (CID 129034983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).