4-(1,1-dioxo-1,4-thiazinan-2-yl)aniline

C10H14N2O2S — CID 67006004

IUPAC4-(1,1-dioxo-1,4-thiazinan-2-yl)aniline
SMILESNc1ccc(C2CNCCS2(=O)=O)cc1
InChIInChI=1S/C10H14N2O2S/c11-9-3-1-8(2-4-9)10-7-12-5-6-15(10,13)14/h1-4,10,12H,5-7,11H2
InChIKeyWXWIRLWFBGERSL-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.33
Rot. Bonds1

About 4-(1,1-dioxo-1,4-thiazinan-2-yl)aniline

4-(1,1-dioxo-1,4-thiazinan-2-yl)aniline (PubChem CID 67006004) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-2-yl)aniline.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-2-yl)aniline
PubChem CID67006004
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-2-yl)aniline
SMILESNc1ccc(C2CNCCS2(=O)=O)cc1
InChIInChI=1S/C10H14N2O2S/c11-9-3-1-8(2-4-9)10-7-12-5-6-15(10,13)14/h1-4,10,12H,5-7,11H2
InChIKeyWXWIRLWFBGERSL-UHFFFAOYSA-N
XLogP0.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 12843964
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CID 20294242
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4-(2-(Thiomorpholin-4-yl)ethyl)aniline
CID 28787588
Deoxysotalol hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-2-yl)aniline?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-2-yl)aniline (CID 67006004) is 4-(1,1-dioxo-1,4-thiazinan-2-yl)aniline.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-2-yl)aniline?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-2-yl)aniline is Nc1ccc(C2CNCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-2-yl)aniline?
The InChIKey is WXWIRLWFBGERSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-9-3-1-8(2-4-9)10-7-12-5-6-15(10,13)14/h1-4,10,12H,5-7,11H2.
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-2-yl)aniline?
4-(1,1-dioxo-1,4-thiazinan-2-yl)aniline has a molecular weight of 226.30 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-2-yl)aniline is sourced from PubChem (CID 67006004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).