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

C14H25NS — CID 173177284

IUPAC3-methyl-2-nonyl-4H-1,4-thiazine
SMILESCCCCCCCCCC1=C(C)NC=CS1
InChIInChI=1S/C14H25NS/c1-3-4-5-6-7-8-9-10-14-13(2)15-11-12-16-14/h11-12,15H,3-10H2,1-2H3
InChIKeyINCCMARXAPQLJB-UHFFFAOYSA-N
MW239.43 g/mol
LogP5.17
Rot. Bonds8

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

3-methyl-2-nonyl-4H-1,4-thiazine (PubChem CID 173177284) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 3-methyl-2-nonyl-4H-1,4-thiazine.

Molecular Properties

Compound Name3-methyl-2-nonyl-4H-1,4-thiazine
PubChem CID173177284
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name3-methyl-2-nonyl-4H-1,4-thiazine
SMILESCCCCCCCCCC1=C(C)NC=CS1
InChIInChI=1S/C14H25NS/c1-3-4-5-6-7-8-9-10-14-13(2)15-11-12-16-14/h11-12,15H,3-10H2,1-2H3
InChIKeyINCCMARXAPQLJB-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.43
LogP ≤ 55.17
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

3-methyl-2-pentyl-4H-1,4-thiazine
CID 173177008
2,3-dipentyl-4H-1,4-thiazine
CID 173177311
2,3-dibutyl-4H-1,4-thiazine
CID 173177242
2-hexyl-4H-1,4-thiazine
CID 173177012
5-dodecyl-4-methyl-1H-pyrazole
CID 173176780
3-methyl-4-octylthiophene
CID 22052993
2-heptyl-1,3,5-trimethylbenzene
CID 91176517
2-hexadecyl-1,3,5-trimethylbenzene
CID 86119723
pentacosane;hydrochloride
CID 172714496
icosane;tetrahydrochloride
CID 143212018
bis(heptane);hydrochloride
CID 160833718
2-heptyl-3,4-dimethylthiophene
CID 142681632

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-nonyl-4H-1,4-thiazine?
The IUPAC name of 3-methyl-2-nonyl-4H-1,4-thiazine (CID 173177284) is 3-methyl-2-nonyl-4H-1,4-thiazine.
What is the SMILES notation for 3-methyl-2-nonyl-4H-1,4-thiazine?
The canonical SMILES for 3-methyl-2-nonyl-4H-1,4-thiazine is CCCCCCCCCC1=C(C)NC=CS1.
What is the InChIKey of 3-methyl-2-nonyl-4H-1,4-thiazine?
The InChIKey is INCCMARXAPQLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-3-4-5-6-7-8-9-10-14-13(2)15-11-12-16-14/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 3-methyl-2-nonyl-4H-1,4-thiazine?
3-methyl-2-nonyl-4H-1,4-thiazine has a molecular weight of 239.43 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-nonyl-4H-1,4-thiazine is sourced from PubChem (CID 173177284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).