N-[1-(oxan-4-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine

C15H26N2OS — CID 106363908

IUPACN-[1-(oxan-4-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCC(NC1=NC2CCCCC2CS1)C1CCOCC1
InChIInChI=1S/C15H26N2OS/c1-11(12-6-8-18-9-7-12)16-15-17-14-5-3-2-4-13(14)10-19-15/h11-14H,2-10H2,1H3,(H,16,17)
InChIKeyBZDOOBWYGNXUMF-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.05
Rot. Bonds2

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

N-[1-(oxan-4-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (PubChem CID 106363908) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
PubChem CID106363908
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[1-(oxan-4-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCC(NC1=NC2CCCCC2CS1)C1CCOCC1
InChIInChI=1S/C15H26N2OS/c1-11(12-6-8-18-9-7-12)16-15-17-14-5-3-2-4-13(14)10-19-15/h11-14H,2-10H2,1H3,(H,16,17)
InChIKeyBZDOOBWYGNXUMF-UHFFFAOYSA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (CID 106363908) is N-[1-(oxan-4-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is CC(NC1=NC2CCCCC2CS1)C1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The InChIKey is BZDOOBWYGNXUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-11(12-6-8-18-9-7-12)16-15-17-14-5-3-2-4-13(14)10-19-15/h11-14H,2-10H2,1H3,(H,16,17).
What are the key properties of N-[1-(oxan-4-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
N-[1-(oxan-4-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine has a molecular weight of 282.45 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 106363908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).