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

C15H26N2OS — CID 106363576

IUPACN-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCC1(C)CC(NC2=NC3CCCCC3CS2)CCO1
InChIInChI=1S/C15H26N2OS/c1-15(2)9-12(7-8-18-15)16-14-17-13-6-4-3-5-11(13)10-19-14/h11-13H,3-10H2,1-2H3,(H,16,17)
InChIKeyJYIOBZCGOWZALZ-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.20
Rot. Bonds1

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

N-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (PubChem CID 106363576) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
PubChem CID106363576
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCC1(C)CC(NC2=NC3CCCCC3CS2)CCO1
InChIInChI=1S/C15H26N2OS/c1-15(2)9-12(7-8-18-15)16-14-17-13-6-4-3-5-11(13)10-19-14/h11-13H,3-10H2,1-2H3,(H,16,17)
InChIKeyJYIOBZCGOWZALZ-UHFFFAOYSA-N
XLogP3.20
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363578
N-(oxan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363309
5-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 83029259
N-(4-methyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363714
N-(1-cyclohexylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363216
N-(1-ethylpiperidin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106362995
N-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968025
N-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363703
N-(3-ethylpentan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 114178995
N-(2,2-dimethyloxan-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 83029113
N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
CID 83028490
N-(2,2-dimethyloxan-4-yl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462048

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (CID 106363576) is N-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is CC1(C)CC(NC2=NC3CCCCC3CS2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The InChIKey is JYIOBZCGOWZALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-15(2)9-12(7-8-18-15)16-14-17-13-6-4-3-5-11(13)10-19-14/h11-13H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
N-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine has a molecular weight of 282.45 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 106363576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).