2-butyl-6-pentyl-6H-1,3-thiazine

C13H23NS — CID 174574002

IUPAC2-butyl-6-pentyl-6H-1,3-thiazine
SMILESCCCCCC1C=CN=C(CCCC)S1
InChIInChI=1S/C13H23NS/c1-3-5-7-8-12-10-11-14-13(15-12)9-6-4-2/h10-12H,3-9H2,1-2H3
InChIKeyIOSHNNCIWMESSP-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.78
Rot. Bonds7

About 2-butyl-6-pentyl-6H-1,3-thiazine

2-butyl-6-pentyl-6H-1,3-thiazine (PubChem CID 174574002) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 2-butyl-6-pentyl-6H-1,3-thiazine.

Molecular Properties

Compound Name2-butyl-6-pentyl-6H-1,3-thiazine
PubChem CID174574002
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name2-butyl-6-pentyl-6H-1,3-thiazine
SMILESCCCCCC1C=CN=C(CCCC)S1
InChIInChI=1S/C13H23NS/c1-3-5-7-8-12-10-11-14-13(15-12)9-6-4-2/h10-12H,3-9H2,1-2H3
InChIKeyIOSHNNCIWMESSP-UHFFFAOYSA-N
XLogP4.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.78
H-Bond Donors ≤ 50
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-butyl-6-pentyl-6H-1,3-thiazine?
The IUPAC name of 2-butyl-6-pentyl-6H-1,3-thiazine (CID 174574002) is 2-butyl-6-pentyl-6H-1,3-thiazine.
What is the SMILES notation for 2-butyl-6-pentyl-6H-1,3-thiazine?
The canonical SMILES for 2-butyl-6-pentyl-6H-1,3-thiazine is CCCCCC1C=CN=C(CCCC)S1.
What is the InChIKey of 2-butyl-6-pentyl-6H-1,3-thiazine?
The InChIKey is IOSHNNCIWMESSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-3-5-7-8-12-10-11-14-13(15-12)9-6-4-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-butyl-6-pentyl-6H-1,3-thiazine?
2-butyl-6-pentyl-6H-1,3-thiazine has a molecular weight of 225.40 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-pentyl-6H-1,3-thiazine is sourced from PubChem (CID 174574002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).