3-ethyl-5-(3-ethyl-1-benzofuran-2-yl)-1,4-thiazinane 1,1-dioxide

C16H21NO3S — CID 66231241

IUPAC3-ethyl-5-(3-ethyl-1-benzofuran-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCc1c(C2CS(=O)(=O)CC(CC)N2)oc2ccccc12
InChIInChI=1S/C16H21NO3S/c1-3-11-9-21(18,19)10-14(17-11)16-12(4-2)13-7-5-6-8-15(13)20-16/h5-8,11,14,17H,3-4,9-10H2,1-2H3
InChIKeyFUBDYTBCYZHEOH-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.83
Rot. Bonds3

About 3-ethyl-5-(3-ethyl-1-benzofuran-2-yl)-1,4-thiazinane 1,1-dioxide

3-ethyl-5-(3-ethyl-1-benzofuran-2-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 66231241) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is 3-ethyl-5-(3-ethyl-1-benzofuran-2-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-ethyl-5-(3-ethyl-1-benzofuran-2-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID66231241
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name3-ethyl-5-(3-ethyl-1-benzofuran-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCc1c(C2CS(=O)(=O)CC(CC)N2)oc2ccccc12
InChIInChI=1S/C16H21NO3S/c1-3-11-9-21(18,19)10-14(17-11)16-12(4-2)13-7-5-6-8-15(13)20-16/h5-8,11,14,17H,3-4,9-10H2,1-2H3
InChIKeyFUBDYTBCYZHEOH-UHFFFAOYSA-N
XLogP2.83
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-ethyl-1-benzofuran-2-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-ethyl-5-(3-ethyl-1-benzofuran-2-yl)-1,4-thiazinane 1,1-dioxide (CID 66231241) is 3-ethyl-5-(3-ethyl-1-benzofuran-2-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-ethyl-5-(3-ethyl-1-benzofuran-2-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-ethyl-5-(3-ethyl-1-benzofuran-2-yl)-1,4-thiazinane 1,1-dioxide is CCc1c(C2CS(=O)(=O)CC(CC)N2)oc2ccccc12.
What is the InChIKey of 3-ethyl-5-(3-ethyl-1-benzofuran-2-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is FUBDYTBCYZHEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-3-11-9-21(18,19)10-14(17-11)16-12(4-2)13-7-5-6-8-15(13)20-16/h5-8,11,14,17H,3-4,9-10H2,1-2H3.
What are the key properties of 3-ethyl-5-(3-ethyl-1-benzofuran-2-yl)-1,4-thiazinane 1,1-dioxide?
3-ethyl-5-(3-ethyl-1-benzofuran-2-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 307.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-ethyl-1-benzofuran-2-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 66231241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).