4-(1,3-benzoxazol-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide

C15H20N2O2S — CID 133479475

IUPAC4-(1,3-benzoxazol-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
SMILESCCC1(CC)CN(c2nc3ccccc3o2)CCS1=O
InChIInChI=1S/C15H20N2O2S/c1-3-15(4-2)11-17(9-10-20(15)18)14-16-12-7-5-6-8-13(12)19-14/h5-8H,3-4,9-11H2,1-2H3
InChIKeyQSOUJQLPDLZSID-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.96
Rot. Bonds3

About 4-(1,3-benzoxazol-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide

4-(1,3-benzoxazol-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide (PubChem CID 133479475) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
PubChem CID133479475
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-(1,3-benzoxazol-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
SMILESCCC1(CC)CN(c2nc3ccccc3o2)CCS1=O
InChIInChI=1S/C15H20N2O2S/c1-3-15(4-2)11-17(9-10-20(15)18)14-16-12-7-5-6-8-13(12)19-14/h5-8H,3-4,9-11H2,1-2H3
InChIKeyQSOUJQLPDLZSID-UHFFFAOYSA-N
XLogP2.96
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide (CID 133479475) is 4-(1,3-benzoxazol-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide is CCC1(CC)CN(c2nc3ccccc3o2)CCS1=O.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
The InChIKey is QSOUJQLPDLZSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-15(4-2)11-17(9-10-20(15)18)14-16-12-7-5-6-8-13(12)19-14/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 4-(1,3-benzoxazol-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
4-(1,3-benzoxazol-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide has a molecular weight of 292.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 133479475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).