N-ethyl-3-methoxy-N-[1-(1-oxo-1,4-thiazinan-4-yl)ethenyl]aniline

C15H22N2O2S — CID 171831844

IUPACN-ethyl-3-methoxy-N-[1-(1-oxo-1,4-thiazinan-4-yl)ethenyl]aniline
SMILESC=C(N1CCS(=O)CC1)N(CC)c1cccc(OC)c1
InChIInChI=1S/C15H22N2O2S/c1-4-17(14-6-5-7-15(12-14)19-3)13(2)16-8-10-20(18)11-9-16/h5-7,12H,2,4,8-11H2,1,3H3
InChIKeyVQNXOIDXGJEVFO-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.06
Rot. Bonds5

About N-ethyl-3-methoxy-N-[1-(1-oxo-1,4-thiazinan-4-yl)ethenyl]aniline

N-ethyl-3-methoxy-N-[1-(1-oxo-1,4-thiazinan-4-yl)ethenyl]aniline (PubChem CID 171831844) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N-[1-(1-oxo-1,4-thiazinan-4-yl)ethenyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N-[1-(1-oxo-1,4-thiazinan-4-yl)ethenyl]aniline
PubChem CID171831844
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-ethyl-3-methoxy-N-[1-(1-oxo-1,4-thiazinan-4-yl)ethenyl]aniline
SMILESC=C(N1CCS(=O)CC1)N(CC)c1cccc(OC)c1
InChIInChI=1S/C15H22N2O2S/c1-4-17(14-6-5-7-15(12-14)19-3)13(2)16-8-10-20(18)11-9-16/h5-7,12H,2,4,8-11H2,1,3H3
InChIKeyVQNXOIDXGJEVFO-UHFFFAOYSA-N
XLogP2.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
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1-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(3-methylphenyl)urea
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CID 108869177
N-ethyl-3-methoxy-N-phenylbenzamide
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N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)acetamide
CID 113173316
N-ethyl-N-(3-methoxyphenyl)-2-oxo-1,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepine-7-carboxamide
CID 167764551
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-N-[1-(1-oxo-1,4-thiazinan-4-yl)ethenyl]aniline?
The IUPAC name of N-ethyl-3-methoxy-N-[1-(1-oxo-1,4-thiazinan-4-yl)ethenyl]aniline (CID 171831844) is N-ethyl-3-methoxy-N-[1-(1-oxo-1,4-thiazinan-4-yl)ethenyl]aniline.
What is the SMILES notation for N-ethyl-3-methoxy-N-[1-(1-oxo-1,4-thiazinan-4-yl)ethenyl]aniline?
The canonical SMILES for N-ethyl-3-methoxy-N-[1-(1-oxo-1,4-thiazinan-4-yl)ethenyl]aniline is C=C(N1CCS(=O)CC1)N(CC)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-3-methoxy-N-[1-(1-oxo-1,4-thiazinan-4-yl)ethenyl]aniline?
The InChIKey is VQNXOIDXGJEVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-4-17(14-6-5-7-15(12-14)19-3)13(2)16-8-10-20(18)11-9-16/h5-7,12H,2,4,8-11H2,1,3H3.
What are the key properties of N-ethyl-3-methoxy-N-[1-(1-oxo-1,4-thiazinan-4-yl)ethenyl]aniline?
N-ethyl-3-methoxy-N-[1-(1-oxo-1,4-thiazinan-4-yl)ethenyl]aniline has a molecular weight of 294.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-N-[1-(1-oxo-1,4-thiazinan-4-yl)ethenyl]aniline is sourced from PubChem (CID 171831844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).