3-pentyl-2,4-dihydro-1,3-thiazine

C9H17NS — CID 70196049

IUPAC3-pentyl-2,4-dihydro-1,3-thiazine
SMILESCCCCCN1CC=CSC1
InChIInChI=1S/C9H17NS/c1-2-3-4-6-10-7-5-8-11-9-10/h5,8H,2-4,6-7,9H2,1H3
InChIKeyFOFKRABCYWJIPM-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.70
Rot. Bonds4

About 3-pentyl-2,4-dihydro-1,3-thiazine

3-pentyl-2,4-dihydro-1,3-thiazine (PubChem CID 70196049) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 3-pentyl-2,4-dihydro-1,3-thiazine.

Molecular Properties

Compound Name3-pentyl-2,4-dihydro-1,3-thiazine
PubChem CID70196049
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name3-pentyl-2,4-dihydro-1,3-thiazine
SMILESCCCCCN1CC=CSC1
InChIInChI=1S/C9H17NS/c1-2-3-4-6-10-7-5-8-11-9-10/h5,8H,2-4,6-7,9H2,1H3
InChIKeyFOFKRABCYWJIPM-UHFFFAOYSA-N
XLogP2.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.70
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 3-pentyl-2,4-dihydro-1,3-thiazine?
The IUPAC name of 3-pentyl-2,4-dihydro-1,3-thiazine (CID 70196049) is 3-pentyl-2,4-dihydro-1,3-thiazine.
What is the SMILES notation for 3-pentyl-2,4-dihydro-1,3-thiazine?
The canonical SMILES for 3-pentyl-2,4-dihydro-1,3-thiazine is CCCCCN1CC=CSC1.
What is the InChIKey of 3-pentyl-2,4-dihydro-1,3-thiazine?
The InChIKey is FOFKRABCYWJIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-2-3-4-6-10-7-5-8-11-9-10/h5,8H,2-4,6-7,9H2,1H3.
What are the key properties of 3-pentyl-2,4-dihydro-1,3-thiazine?
3-pentyl-2,4-dihydro-1,3-thiazine has a molecular weight of 171.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-2,4-dihydro-1,3-thiazine is sourced from PubChem (CID 70196049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).