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

C10H17NS — CID 173177008

IUPAC3-methyl-2-pentyl-4H-1,4-thiazine
SMILESCCCCCC1=C(C)NC=CS1
InChIInChI=1S/C10H17NS/c1-3-4-5-6-10-9(2)11-7-8-12-10/h7-8,11H,3-6H2,1-2H3
InChIKeyPOPMGWZVWAOCOO-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.61
Rot. Bonds4

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

3-methyl-2-pentyl-4H-1,4-thiazine (PubChem CID 173177008) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 3-methyl-2-pentyl-4H-1,4-thiazine.

Molecular Properties

Compound Name3-methyl-2-pentyl-4H-1,4-thiazine
PubChem CID173177008
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name3-methyl-2-pentyl-4H-1,4-thiazine
SMILESCCCCCC1=C(C)NC=CS1
InChIInChI=1S/C10H17NS/c1-3-4-5-6-10-9(2)11-7-8-12-10/h7-8,11H,3-6H2,1-2H3
InChIKeyPOPMGWZVWAOCOO-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.61
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-nonyl-4H-1,4-thiazine
CID 173177284
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
3,4-dimethyl-2-pentylthiophene
CID 151508596
2-heptyl-1,3,5-trimethylbenzene
CID 91176517
2-hexadecyl-1,3,5-trimethylbenzene
CID 86119723
hexane;tetrahydrochloride
CID 18520801
2-heptyl-3,4-dimethylthiophene
CID 142681632
2-hexyl-3-methylthiophene
CID 69043695

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pentyl-4H-1,4-thiazine?
The IUPAC name of 3-methyl-2-pentyl-4H-1,4-thiazine (CID 173177008) is 3-methyl-2-pentyl-4H-1,4-thiazine.
What is the SMILES notation for 3-methyl-2-pentyl-4H-1,4-thiazine?
The canonical SMILES for 3-methyl-2-pentyl-4H-1,4-thiazine is CCCCCC1=C(C)NC=CS1.
What is the InChIKey of 3-methyl-2-pentyl-4H-1,4-thiazine?
The InChIKey is POPMGWZVWAOCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-3-4-5-6-10-9(2)11-7-8-12-10/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 3-methyl-2-pentyl-4H-1,4-thiazine?
3-methyl-2-pentyl-4H-1,4-thiazine has a molecular weight of 183.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pentyl-4H-1,4-thiazine is sourced from PubChem (CID 173177008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).