N-(2,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine

C16H22N2O2S — CID 106362621

IUPACN-(2,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCOc1ccc(NC2=NC3CCCCC3CS2)c(OC)c1
InChIInChI=1S/C16H22N2O2S/c1-19-12-7-8-14(15(9-12)20-2)18-16-17-13-6-4-3-5-11(13)10-21-16/h7-9,11,13H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyFUFYVSAWDQXHSY-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.78
Rot. Bonds3

About N-(2,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine

N-(2,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (PubChem CID 106362621) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
PubChem CID106362621
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-(2,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCOc1ccc(NC2=NC3CCCCC3CS2)c(OC)c1
InChIInChI=1S/C16H22N2O2S/c1-19-12-7-8-14(15(9-12)20-2)18-16-17-13-6-4-3-5-11(13)10-21-16/h7-9,11,13H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyFUFYVSAWDQXHSY-UHFFFAOYSA-N
XLogP3.78
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine with MolForge

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363764
N-(3-chloro-4-methoxyphenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106362626
N-(2-tert-butylphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363353
N-(3-bromo-2-methylphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363835
N-(2,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43382052
N-(2,4-dimethoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62522943
N-(2,4,6-trichlorophenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106362533
4-tert-butyl-N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351205
N-(4-bromo-3-fluorophenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363400
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191
N-(1-phenylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106362593
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106362708

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (CID 106362621) is N-(2,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is COc1ccc(NC2=NC3CCCCC3CS2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The InChIKey is FUFYVSAWDQXHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-19-12-7-8-14(15(9-12)20-2)18-16-17-13-6-4-3-5-11(13)10-21-16/h7-9,11,13H,3-6,10H2,1-2H3,(H,17,18).
What are the key properties of N-(2,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
N-(2,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine has a molecular weight of 306.43 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 106362621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).