2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine

C11H20N2S — CID 177262349

IUPAC2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine
SMILESCC(C)(C)C1CN(C2=NCCCS2)C1
InChIInChI=1S/C11H20N2S/c1-11(2,3)9-7-13(8-9)10-12-5-4-6-14-10/h9H,4-8H2,1-3H3
InChIKeyBSPJEOBFWUIEEL-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.46
Rot. Bonds

About 2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine

2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine (PubChem CID 177262349) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine.

Molecular Properties

Compound Name2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine
PubChem CID177262349
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine
SMILESCC(C)(C)C1CN(C2=NCCCS2)C1
InChIInChI=1S/C11H20N2S/c1-11(2,3)9-7-13(8-9)10-12-5-4-6-14-10/h9H,4-8H2,1-3H3
InChIKeyBSPJEOBFWUIEEL-UHFFFAOYSA-N
XLogP2.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine?
The IUPAC name of 2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine (CID 177262349) is 2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine.
What is the SMILES notation for 2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine?
The canonical SMILES for 2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine is CC(C)(C)C1CN(C2=NCCCS2)C1.
What is the InChIKey of 2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine?
The InChIKey is BSPJEOBFWUIEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-11(2,3)9-7-13(8-9)10-12-5-4-6-14-10/h9H,4-8H2,1-3H3.
What are the key properties of 2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine?
2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine has a molecular weight of 212.36 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine is sourced from PubChem (CID 177262349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).