4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine

C14H21N3OS — CID 95870073

IUPAC4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine
SMILESC=CCC[C@@H](CN1CCSCC1)Oc1cnccn1
InChIInChI=1S/C14H21N3OS/c1-2-3-4-13(12-17-7-9-19-10-8-17)18-14-11-15-5-6-16-14/h2,5-6,11,13H,1,3-4,7-10,12H2/t13-/m0/s1
InChIKeyDHMCGRLBIRZWJX-ZDUSSCGKSA-N
MW279.41 g/mol
LogP2.24
Rot. Bonds7

About 4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine

4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine (PubChem CID 95870073) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine.

Molecular Properties

Compound Name4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine
PubChem CID95870073
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine
SMILESC=CCC[C@@H](CN1CCSCC1)Oc1cnccn1
InChIInChI=1S/C14H21N3OS/c1-2-3-4-13(12-17-7-9-19-10-8-17)18-14-11-15-5-6-16-14/h2,5-6,11,13H,1,3-4,7-10,12H2/t13-/m0/s1
InChIKeyDHMCGRLBIRZWJX-ZDUSSCGKSA-N
XLogP2.24
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine?
The IUPAC name of 4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine (CID 95870073) is 4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine.
What is the SMILES notation for 4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine?
The canonical SMILES for 4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine is C=CCC[C@@H](CN1CCSCC1)Oc1cnccn1.
What is the InChIKey of 4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine?
The InChIKey is DHMCGRLBIRZWJX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-3-4-13(12-17-7-9-19-10-8-17)18-14-11-15-5-6-16-14/h2,5-6,11,13H,1,3-4,7-10,12H2/t13-/m0/s1.
What are the key properties of 4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine?
4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine has a molecular weight of 279.41 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-pyrazin-2-yloxyhex-5-enyl]thiomorpholine is sourced from PubChem (CID 95870073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).