2-thiophen-2-yl-1,4-thiazinane 1-oxide

C8H11NOS2 — CID 155421484

IUPAC2-thiophen-2-yl-1,4-thiazinane 1-oxide
SMILESO=S1CCNCC1c1cccs1
InChIInChI=1S/C8H11NOS2/c10-12-5-3-9-6-8(12)7-2-1-4-11-7/h1-2,4,8-9H,3,5-6H2
InChIKeyQRJCMHIRABTIAT-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.14
Rot. Bonds1

About 2-thiophen-2-yl-1,4-thiazinane 1-oxide

2-thiophen-2-yl-1,4-thiazinane 1-oxide (PubChem CID 155421484) has the molecular formula C8H11NOS2 and a molecular weight of 201.32 g/mol. Its IUPAC name is 2-thiophen-2-yl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2-thiophen-2-yl-1,4-thiazinane 1-oxide
PubChem CID155421484
Molecular FormulaC8H11NOS2
Molecular Weight201.32 g/mol
Exact Mass201.03
IUPAC Name2-thiophen-2-yl-1,4-thiazinane 1-oxide
SMILESO=S1CCNCC1c1cccs1
InChIInChI=1S/C8H11NOS2/c10-12-5-3-9-6-8(12)7-2-1-4-11-7/h1-2,4,8-9H,3,5-6H2
InChIKeyQRJCMHIRABTIAT-UHFFFAOYSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1,4-thiazinane 1-oxide?
The IUPAC name of 2-thiophen-2-yl-1,4-thiazinane 1-oxide (CID 155421484) is 2-thiophen-2-yl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2-thiophen-2-yl-1,4-thiazinane 1-oxide?
The canonical SMILES for 2-thiophen-2-yl-1,4-thiazinane 1-oxide is O=S1CCNCC1c1cccs1.
What is the InChIKey of 2-thiophen-2-yl-1,4-thiazinane 1-oxide?
The InChIKey is QRJCMHIRABTIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS2/c10-12-5-3-9-6-8(12)7-2-1-4-11-7/h1-2,4,8-9H,3,5-6H2.
What are the key properties of 2-thiophen-2-yl-1,4-thiazinane 1-oxide?
2-thiophen-2-yl-1,4-thiazinane 1-oxide has a molecular weight of 201.32 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 155421484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).