4-dodec-11-enyl-1,4-thiazinane 1,1-dioxide

C16H31NO2S — CID 164916507

IUPAC4-dodec-11-enyl-1,4-thiazinane 1,1-dioxide
SMILESC=CCCCCCCCCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C16H31NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-20(18,19)16-14-17/h2H,1,3-16H2
InChIKeyFOFKBRQXBQKYLJ-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.41
Rot. Bonds11

About 4-dodec-11-enyl-1,4-thiazinane 1,1-dioxide

4-dodec-11-enyl-1,4-thiazinane 1,1-dioxide (PubChem CID 164916507) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is 4-dodec-11-enyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-dodec-11-enyl-1,4-thiazinane 1,1-dioxide
PubChem CID164916507
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name4-dodec-11-enyl-1,4-thiazinane 1,1-dioxide
SMILESC=CCCCCCCCCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C16H31NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-20(18,19)16-14-17/h2H,1,3-16H2
InChIKeyFOFKBRQXBQKYLJ-UHFFFAOYSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.41
H-Bond Donors ≤ 50
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 4-dodec-11-enyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-dodec-11-enyl-1,4-thiazinane 1,1-dioxide (CID 164916507) is 4-dodec-11-enyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-dodec-11-enyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-dodec-11-enyl-1,4-thiazinane 1,1-dioxide is C=CCCCCCCCCCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-dodec-11-enyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is FOFKBRQXBQKYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-20(18,19)16-14-17/h2H,1,3-16H2.
What are the key properties of 4-dodec-11-enyl-1,4-thiazinane 1,1-dioxide?
4-dodec-11-enyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 301.50 g/mol, XLogP of 3.41, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodec-11-enyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 164916507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).