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

C11H17NOS — CID 143233883

IUPAC4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1-oxide
SMILESC=C(C)/C=C\C(=C)N1CCS(=O)CC1
InChIInChI=1S/C11H17NOS/c1-10(2)4-5-11(3)12-6-8-14(13)9-7-12/h4-5H,1,3,6-9H2,2H3/b5-4-
InChIKeySLBFCRVRNHDGFK-PLNGDYQASA-N
MW211.33 g/mol
LogP1.70
Rot. Bonds3

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

4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1-oxide (PubChem CID 143233883) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1-oxide
PubChem CID143233883
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1-oxide
SMILESC=C(C)/C=C\C(=C)N1CCS(=O)CC1
InChIInChI=1S/C11H17NOS/c1-10(2)4-5-11(3)12-6-8-14(13)9-7-12/h4-5H,1,3,6-9H2,2H3/b5-4-
InChIKeySLBFCRVRNHDGFK-PLNGDYQASA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-oxide?
The IUPAC name of 4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1-oxide (CID 143233883) is 4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1-oxide is C=C(C)/C=C\C(=C)N1CCS(=O)CC1.
What is the InChIKey of 4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1-oxide?
The InChIKey is SLBFCRVRNHDGFK-PLNGDYQASA-N. The full InChI is InChI=1S/C11H17NOS/c1-10(2)4-5-11(3)12-6-8-14(13)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-oxide?
4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,4-thiazinane 1-oxide has a molecular weight of 211.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 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-oxide is sourced from PubChem (CID 143233883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).