4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane

C11H15NS — CID 143137391

IUPAC4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane
SMILESC=C1NC(C2=CCCC=C2)CCS1
InChIInChI=1S/C11H15NS/c1-9-12-11(7-8-13-9)10-5-3-2-4-6-10/h3,5-6,11-12H,1-2,4,7-8H2
InChIKeyMSULMIPKJXDLJQ-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.83
Rot. Bonds1

About 4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane

4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane (PubChem CID 143137391) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane
PubChem CID143137391
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane
SMILESC=C1NC(C2=CCCC=C2)CCS1
InChIInChI=1S/C11H15NS/c1-9-12-11(7-8-13-9)10-5-3-2-4-6-10/h3,5-6,11-12H,1-2,4,7-8H2
InChIKeyMSULMIPKJXDLJQ-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane (CID 143137391) is 4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane is C=C1NC(C2=CCCC=C2)CCS1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane?
The InChIKey is MSULMIPKJXDLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-9-12-11(7-8-13-9)10-5-3-2-4-6-10/h3,5-6,11-12H,1-2,4,7-8H2.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane?
4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane has a molecular weight of 193.31 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane is sourced from PubChem (CID 143137391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).