3-(5-ethylthiophen-2-yl)-5-methyl-1,4-thiazinane 1-oxide

C11H17NOS2 — CID 66217685

IUPAC3-(5-ethylthiophen-2-yl)-5-methyl-1,4-thiazinane 1-oxide
SMILESCCc1ccc(C2CS(=O)CC(C)N2)s1
InChIInChI=1S/C11H17NOS2/c1-3-9-4-5-11(14-9)10-7-15(13)6-8(2)12-10/h4-5,8,10,12H,3,6-7H2,1-2H3
InChIKeyCUCWGRBADSBMCG-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.09
Rot. Bonds2

About 3-(5-ethylthiophen-2-yl)-5-methyl-1,4-thiazinane 1-oxide

3-(5-ethylthiophen-2-yl)-5-methyl-1,4-thiazinane 1-oxide (PubChem CID 66217685) has the molecular formula C11H17NOS2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-5-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-5-methyl-1,4-thiazinane 1-oxide
PubChem CID66217685
Molecular FormulaC11H17NOS2
Molecular Weight243.40 g/mol
Exact Mass243.08
IUPAC Name3-(5-ethylthiophen-2-yl)-5-methyl-1,4-thiazinane 1-oxide
SMILESCCc1ccc(C2CS(=O)CC(C)N2)s1
InChIInChI=1S/C11H17NOS2/c1-3-9-4-5-11(14-9)10-7-15(13)6-8(2)12-10/h4-5,8,10,12H,3,6-7H2,1-2H3
InChIKeyCUCWGRBADSBMCG-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)-5-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-5-methyl-1,4-thiazinane 1-oxide (CID 66217685) is 3-(5-ethylthiophen-2-yl)-5-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-5-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-5-methyl-1,4-thiazinane 1-oxide is CCc1ccc(C2CS(=O)CC(C)N2)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-5-methyl-1,4-thiazinane 1-oxide?
The InChIKey is CUCWGRBADSBMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS2/c1-3-9-4-5-11(14-9)10-7-15(13)6-8(2)12-10/h4-5,8,10,12H,3,6-7H2,1-2H3.
What are the key properties of 3-(5-ethylthiophen-2-yl)-5-methyl-1,4-thiazinane 1-oxide?
3-(5-ethylthiophen-2-yl)-5-methyl-1,4-thiazinane 1-oxide has a molecular weight of 243.40 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)-5-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 66217685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).