1,1,2,4-tetramethyl-6-[(Z)-3-methylhex-3-enyl]-4H-1,3-thiazine

C15H27NS — CID 135265914

IUPAC1,1,2,4-tetramethyl-6-[(Z)-3-methylhex-3-enyl]-4H-1,3-thiazine
SMILESCC/C=C(/C)CCC1=CC(C)N=C(C)S1(C)C
InChIInChI=1S/C15H27NS/c1-7-8-12(2)9-10-15-11-13(3)16-14(4)17(15,5)6/h8,11,13H,7,9-10H2,1-6H3/b12-8-
InChIKeyLLMITRJOCOVJQU-WQLSENKSSA-N
MW253.45 g/mol
LogP4.89
Rot. Bonds4

About 1,1,2,4-tetramethyl-6-[(Z)-3-methylhex-3-enyl]-4H-1,3-thiazine

1,1,2,4-tetramethyl-6-[(Z)-3-methylhex-3-enyl]-4H-1,3-thiazine (PubChem CID 135265914) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 1,1,2,4-tetramethyl-6-[(Z)-3-methylhex-3-enyl]-4H-1,3-thiazine.

Molecular Properties

Compound Name1,1,2,4-tetramethyl-6-[(Z)-3-methylhex-3-enyl]-4H-1,3-thiazine
PubChem CID135265914
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name1,1,2,4-tetramethyl-6-[(Z)-3-methylhex-3-enyl]-4H-1,3-thiazine
SMILESCC/C=C(/C)CCC1=CC(C)N=C(C)S1(C)C
InChIInChI=1S/C15H27NS/c1-7-8-12(2)9-10-15-11-13(3)16-14(4)17(15,5)6/h8,11,13H,7,9-10H2,1-6H3/b12-8-
InChIKeyLLMITRJOCOVJQU-WQLSENKSSA-N
XLogP4.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2,4-tetramethyl-6-[(Z)-3-methylhex-3-enyl]-4H-1,3-thiazine with MolForge

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Related Compounds

4-methyloct-3-ene
CID 85445337
3,7-dimethyldeca-2,7-diene
CID 173346067
4-methylheptadec-3-ene
CID 59169426
3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene
CID 157050513
methane;(E)-3-methylhex-3-ene
CID 157350431
methane;(Z)-3-methylhex-3-ene
CID 168892321
1,2,3,4,5-pentamethyl-6-(2-methylpent-2-enyl)benzene
CID 72621830
(2Z,6E)-2-iodo-6-methylnona-2,6-diene
CID 122625935
ethane;(5Z)-5-methylocta-1,5-diene
CID 155705867
2,6-dimethylnona-2,6-diene;pyridine
CID 174610966
(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
CID 160792784
ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene
CID 145317511

Frequently Asked Questions

What is the IUPAC name of 1,1,2,4-tetramethyl-6-[(Z)-3-methylhex-3-enyl]-4H-1,3-thiazine?
The IUPAC name of 1,1,2,4-tetramethyl-6-[(Z)-3-methylhex-3-enyl]-4H-1,3-thiazine (CID 135265914) is 1,1,2,4-tetramethyl-6-[(Z)-3-methylhex-3-enyl]-4H-1,3-thiazine.
What is the SMILES notation for 1,1,2,4-tetramethyl-6-[(Z)-3-methylhex-3-enyl]-4H-1,3-thiazine?
The canonical SMILES for 1,1,2,4-tetramethyl-6-[(Z)-3-methylhex-3-enyl]-4H-1,3-thiazine is CC/C=C(/C)CCC1=CC(C)N=C(C)S1(C)C.
What is the InChIKey of 1,1,2,4-tetramethyl-6-[(Z)-3-methylhex-3-enyl]-4H-1,3-thiazine?
The InChIKey is LLMITRJOCOVJQU-WQLSENKSSA-N. The full InChI is InChI=1S/C15H27NS/c1-7-8-12(2)9-10-15-11-13(3)16-14(4)17(15,5)6/h8,11,13H,7,9-10H2,1-6H3/b12-8-.
What are the key properties of 1,1,2,4-tetramethyl-6-[(Z)-3-methylhex-3-enyl]-4H-1,3-thiazine?
1,1,2,4-tetramethyl-6-[(Z)-3-methylhex-3-enyl]-4H-1,3-thiazine has a molecular weight of 253.45 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4-tetramethyl-6-[(Z)-3-methylhex-3-enyl]-4H-1,3-thiazine is sourced from PubChem (CID 135265914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).