(2R)-1-[(E)-hex-1-enyl]sulfonylpentan-2-amine

C11H23NO2S — CID 72947006

IUPAC(2R)-1-[(E)-hex-1-enyl]sulfonylpentan-2-amine
SMILESCCCC/C=C/S(=O)(=O)C[C@H](N)CCC
InChIInChI=1S/C11H23NO2S/c1-3-5-6-7-9-15(13,14)10-11(12)8-4-2/h7,9,11H,3-6,8,10,12H2,1-2H3/b9-7+/t11-/m1/s1
InChIKeyWXNLFNIMROEMAR-MXMFLMJRSA-N
MW233.38 g/mol
LogP2.23
Rot. Bonds8

About (2R)-1-[(E)-hex-1-enyl]sulfonylpentan-2-amine

(2R)-1-[(E)-hex-1-enyl]sulfonylpentan-2-amine (PubChem CID 72947006) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is (2R)-1-[(E)-hex-1-enyl]sulfonylpentan-2-amine.

Molecular Properties

Compound Name(2R)-1-[(E)-hex-1-enyl]sulfonylpentan-2-amine
PubChem CID72947006
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name(2R)-1-[(E)-hex-1-enyl]sulfonylpentan-2-amine
SMILESCCCC/C=C/S(=O)(=O)C[C@H](N)CCC
InChIInChI=1S/C11H23NO2S/c1-3-5-6-7-9-15(13,14)10-11(12)8-4-2/h7,9,11H,3-6,8,10,12H2,1-2H3/b9-7+/t11-/m1/s1
InChIKeyWXNLFNIMROEMAR-MXMFLMJRSA-N
XLogP2.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2R)-1-[(E)-hex-1-enyl]sulfonylpentan-2-amine?
The IUPAC name of (2R)-1-[(E)-hex-1-enyl]sulfonylpentan-2-amine (CID 72947006) is (2R)-1-[(E)-hex-1-enyl]sulfonylpentan-2-amine.
What is the SMILES notation for (2R)-1-[(E)-hex-1-enyl]sulfonylpentan-2-amine?
The canonical SMILES for (2R)-1-[(E)-hex-1-enyl]sulfonylpentan-2-amine is CCCC/C=C/S(=O)(=O)C[C@H](N)CCC.
What is the InChIKey of (2R)-1-[(E)-hex-1-enyl]sulfonylpentan-2-amine?
The InChIKey is WXNLFNIMROEMAR-MXMFLMJRSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-5-6-7-9-15(13,14)10-11(12)8-4-2/h7,9,11H,3-6,8,10,12H2,1-2H3/b9-7+/t11-/m1/s1.
What are the key properties of (2R)-1-[(E)-hex-1-enyl]sulfonylpentan-2-amine?
(2R)-1-[(E)-hex-1-enyl]sulfonylpentan-2-amine has a molecular weight of 233.38 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(E)-hex-1-enyl]sulfonylpentan-2-amine is sourced from PubChem (CID 72947006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).