2-decyl-3-methyl-4H-1,4-thiazine

C15H27NS — CID 173176398

IUPAC2-decyl-3-methyl-4H-1,4-thiazine
SMILESCCCCCCCCCCC1=C(C)NC=CS1
InChIInChI=1S/C15H27NS/c1-3-4-5-6-7-8-9-10-11-15-14(2)16-12-13-17-15/h12-13,16H,3-11H2,1-2H3
InChIKeyRKHHLKKZXYQTIL-UHFFFAOYSA-N
MW253.45 g/mol
LogP5.56
Rot. Bonds9

About 2-decyl-3-methyl-4H-1,4-thiazine

2-decyl-3-methyl-4H-1,4-thiazine (PubChem CID 173176398) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 2-decyl-3-methyl-4H-1,4-thiazine.

Molecular Properties

Compound Name2-decyl-3-methyl-4H-1,4-thiazine
PubChem CID173176398
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name2-decyl-3-methyl-4H-1,4-thiazine
SMILESCCCCCCCCCCC1=C(C)NC=CS1
InChIInChI=1S/C15H27NS/c1-3-4-5-6-7-8-9-10-11-15-14(2)16-12-13-17-15/h12-13,16H,3-11H2,1-2H3
InChIKeyRKHHLKKZXYQTIL-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.45
LogP ≤ 55.56
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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Frequently Asked Questions

What is the IUPAC name of 2-decyl-3-methyl-4H-1,4-thiazine?
The IUPAC name of 2-decyl-3-methyl-4H-1,4-thiazine (CID 173176398) is 2-decyl-3-methyl-4H-1,4-thiazine.
What is the SMILES notation for 2-decyl-3-methyl-4H-1,4-thiazine?
The canonical SMILES for 2-decyl-3-methyl-4H-1,4-thiazine is CCCCCCCCCCC1=C(C)NC=CS1.
What is the InChIKey of 2-decyl-3-methyl-4H-1,4-thiazine?
The InChIKey is RKHHLKKZXYQTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-3-4-5-6-7-8-9-10-11-15-14(2)16-12-13-17-15/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 2-decyl-3-methyl-4H-1,4-thiazine?
2-decyl-3-methyl-4H-1,4-thiazine has a molecular weight of 253.45 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-3-methyl-4H-1,4-thiazine is sourced from PubChem (CID 173176398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).