2-naphthalen-2-yl-1,3-thiazinane

C14H15NS — CID 66218515

IUPAC2-naphthalen-2-yl-1,3-thiazinane
SMILESc1ccc2cc(C3NCCCS3)ccc2c1
InChIInChI=1S/C14H15NS/c1-2-5-12-10-13(7-6-11(12)4-1)14-15-8-3-9-16-14/h1-2,4-7,10,14-15H,3,8-9H2
InChIKeyKNWMSCCBESSGSZ-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.56
Rot. Bonds1

About 2-naphthalen-2-yl-1,3-thiazinane

2-naphthalen-2-yl-1,3-thiazinane (PubChem CID 66218515) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1,3-thiazinane.

Molecular Properties

Compound Name2-naphthalen-2-yl-1,3-thiazinane
PubChem CID66218515
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name2-naphthalen-2-yl-1,3-thiazinane
SMILESc1ccc2cc(C3NCCCS3)ccc2c1
InChIInChI=1S/C14H15NS/c1-2-5-12-10-13(7-6-11(12)4-1)14-15-8-3-9-16-14/h1-2,4-7,10,14-15H,3,8-9H2
InChIKeyKNWMSCCBESSGSZ-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-1,3-thiazinane?
The IUPAC name of 2-naphthalen-2-yl-1,3-thiazinane (CID 66218515) is 2-naphthalen-2-yl-1,3-thiazinane.
What is the SMILES notation for 2-naphthalen-2-yl-1,3-thiazinane?
The canonical SMILES for 2-naphthalen-2-yl-1,3-thiazinane is c1ccc2cc(C3NCCCS3)ccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-1,3-thiazinane?
The InChIKey is KNWMSCCBESSGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-2-5-12-10-13(7-6-11(12)4-1)14-15-8-3-9-16-14/h1-2,4-7,10,14-15H,3,8-9H2.
What are the key properties of 2-naphthalen-2-yl-1,3-thiazinane?
2-naphthalen-2-yl-1,3-thiazinane has a molecular weight of 229.35 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-1,3-thiazinane is sourced from PubChem (CID 66218515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).