5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine;heptane

C13H27NS — CID 143716624

IUPAC5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine;heptane
SMILESCC1=C(C)SCCN1.CCCCCCC
InChIInChI=1S/C7H16.C6H11NS/c1-3-5-7-6-4-2;1-5-6(2)8-4-3-7-5/h3-7H2,1-2H3;7H,3-4H2,1-2H3
InChIKeySOLWFDAUPRFZNR-UHFFFAOYSA-N
MW229.43 g/mol
LogP4.55
Rot. Bonds4

About 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine;heptane

5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine;heptane (PubChem CID 143716624) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine;heptane.

Molecular Properties

Compound Name5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine;heptane
PubChem CID143716624
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine;heptane
SMILESCC1=C(C)SCCN1.CCCCCCC
InChIInChI=1S/C7H16.C6H11NS/c1-3-5-7-6-4-2;1-5-6(2)8-4-3-7-5/h3-7H2,1-2H3;7H,3-4H2,1-2H3
InChIKeySOLWFDAUPRFZNR-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2-decylthiomorpholin-3-one
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4,5-dimethyl-2,3-dihydro-1,3-thiazole;ethane
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magnesium;undecane;dichloride
CID 175829094
azanium;dodecane;chloride
CID 172693740
azanium;octacosane;chloride
CID 172810874
triacontane
CID 12535
dictane
CID 19848341
decane;heptane
CID 159049036
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine;heptane?
The IUPAC name of 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine;heptane (CID 143716624) is 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine;heptane.
What is the SMILES notation for 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine;heptane?
The canonical SMILES for 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine;heptane is CC1=C(C)SCCN1.CCCCCCC.
What is the InChIKey of 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine;heptane?
The InChIKey is SOLWFDAUPRFZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C6H11NS/c1-3-5-7-6-4-2;1-5-6(2)8-4-3-7-5/h3-7H2,1-2H3;7H,3-4H2,1-2H3.
What are the key properties of 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine;heptane?
5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine;heptane has a molecular weight of 229.43 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine;heptane is sourced from PubChem (CID 143716624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).