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

C13H21NS — CID 143137390

IUPAC4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane;ethane
SMILESC=C1NC(C2=CCCC=C2)CCS1.CC
InChIInChI=1S/C11H15NS.C2H6/c1-9-12-11(7-8-13-9)10-5-3-2-4-6-10;1-2/h3,5-6,11-12H,1-2,4,7-8H2;1-2H3
InChIKeyLTAMHWSDXYRPEQ-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.86
Rot. Bonds1

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

4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane;ethane (PubChem CID 143137390) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane;ethane.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane;ethane
PubChem CID143137390
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane;ethane
SMILESC=C1NC(C2=CCCC=C2)CCS1.CC
InChIInChI=1S/C11H15NS.C2H6/c1-9-12-11(7-8-13-9)10-5-3-2-4-6-10;1-2/h3,5-6,11-12H,1-2,4,7-8H2;1-2H3
InChIKeyLTAMHWSDXYRPEQ-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.86
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;ethane?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane;ethane (CID 143137390) is 4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane;ethane.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane;ethane?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane;ethane is C=C1NC(C2=CCCC=C2)CCS1.CC.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane;ethane?
The InChIKey is LTAMHWSDXYRPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS.C2H6/c1-9-12-11(7-8-13-9)10-5-3-2-4-6-10;1-2/h3,5-6,11-12H,1-2,4,7-8H2;1-2H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane;ethane?
4-cyclohexa-1,5-dien-1-yl-2-methylidene-1,3-thiazinane;ethane has a molecular weight of 223.38 g/mol, XLogP of 3.86, 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;ethane is sourced from PubChem (CID 143137390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).