4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1,1-dioxide

C11H17NO2S — CID 143233892

IUPAC4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1,1-dioxide
SMILESC=C(C)/C=C\C(=C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H17NO2S/c1-10(2)4-5-11(3)12-6-8-15(13,14)9-7-12/h4-5H,1,3,6-9H2,2H3/b5-4-
InChIKeyBJQHRFDHZBTUDM-PLNGDYQASA-N
MW227.33 g/mol
LogP1.36
Rot. Bonds3

About 4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1,1-dioxide

4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 143233892) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID143233892
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1,1-dioxide
SMILESC=C(C)/C=C\C(=C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H17NO2S/c1-10(2)4-5-11(3)12-6-8-15(13,14)9-7-12/h4-5H,1,3,6-9H2,2H3/b5-4-
InChIKeyBJQHRFDHZBTUDM-PLNGDYQASA-N
XLogP1.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.36
H-Bond Donors ≤ 50
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 4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1,1-dioxide (CID 143233892) is 4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1,1-dioxide is C=C(C)/C=C\C(=C)N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is BJQHRFDHZBTUDM-PLNGDYQASA-N. The full InChI is InChI=1S/C11H17NO2S/c1-10(2)4-5-11(3)12-6-8-15(13,14)9-7-12/h4-5H,1,3,6-9H2,2H3/b5-4-.
What are the key properties of 4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1,1-dioxide?
4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 227.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 143233892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).