6-pentyl-4-prop-2-enyl-2H-1,3-thiazine

C12H19NS — CID 174667244

IUPAC6-pentyl-4-prop-2-enyl-2H-1,3-thiazine
SMILESC=CCC1=NCSC(CCCCC)=C1
InChIInChI=1S/C12H19NS/c1-3-5-6-8-12-9-11(7-4-2)13-10-14-12/h4,9H,2-3,5-8,10H2,1H3
InChIKeyZGHHGUZEXVLAGK-UHFFFAOYSA-N
MW209.36 g/mol
LogP4.17
Rot. Bonds6

About 6-pentyl-4-prop-2-enyl-2H-1,3-thiazine

6-pentyl-4-prop-2-enyl-2H-1,3-thiazine (PubChem CID 174667244) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 6-pentyl-4-prop-2-enyl-2H-1,3-thiazine.

Molecular Properties

Compound Name6-pentyl-4-prop-2-enyl-2H-1,3-thiazine
PubChem CID174667244
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name6-pentyl-4-prop-2-enyl-2H-1,3-thiazine
SMILESC=CCC1=NCSC(CCCCC)=C1
InChIInChI=1S/C12H19NS/c1-3-5-6-8-12-9-11(7-4-2)13-10-14-12/h4,9H,2-3,5-8,10H2,1H3
InChIKeyZGHHGUZEXVLAGK-UHFFFAOYSA-N
XLogP4.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-pentyl-4-prop-2-enyl-2H-1,3-thiazine?
The IUPAC name of 6-pentyl-4-prop-2-enyl-2H-1,3-thiazine (CID 174667244) is 6-pentyl-4-prop-2-enyl-2H-1,3-thiazine.
What is the SMILES notation for 6-pentyl-4-prop-2-enyl-2H-1,3-thiazine?
The canonical SMILES for 6-pentyl-4-prop-2-enyl-2H-1,3-thiazine is C=CCC1=NCSC(CCCCC)=C1.
What is the InChIKey of 6-pentyl-4-prop-2-enyl-2H-1,3-thiazine?
The InChIKey is ZGHHGUZEXVLAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-3-5-6-8-12-9-11(7-4-2)13-10-14-12/h4,9H,2-3,5-8,10H2,1H3.
What are the key properties of 6-pentyl-4-prop-2-enyl-2H-1,3-thiazine?
6-pentyl-4-prop-2-enyl-2H-1,3-thiazine has a molecular weight of 209.36 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyl-4-prop-2-enyl-2H-1,3-thiazine is sourced from PubChem (CID 174667244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).