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

C15H27N3OS — CID 106363013

IUPACN-(1-morpholin-4-ylpropan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCC(CN1CCOCC1)NC1=NC2CCCCC2CS1
InChIInChI=1S/C15H27N3OS/c1-12(10-18-6-8-19-9-7-18)16-15-17-14-5-3-2-4-13(14)11-20-15/h12-14H,2-11H2,1H3,(H,16,17)
InChIKeyWZOVEOPXWHMVSR-UHFFFAOYSA-N
MW297.47 g/mol
LogP1.96
Rot. Bonds3

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

N-(1-morpholin-4-ylpropan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (PubChem CID 106363013) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-(1-morpholin-4-ylpropan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound NameN-(1-morpholin-4-ylpropan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
PubChem CID106363013
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-(1-morpholin-4-ylpropan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCC(CN1CCOCC1)NC1=NC2CCCCC2CS1
InChIInChI=1S/C15H27N3OS/c1-12(10-18-6-8-19-9-7-18)16-15-17-14-5-3-2-4-13(14)11-20-15/h12-14H,2-11H2,1H3,(H,16,17)
InChIKeyWZOVEOPXWHMVSR-UHFFFAOYSA-N
XLogP1.96
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-ylpropan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The IUPAC name of N-(1-morpholin-4-ylpropan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (CID 106363013) is N-(1-morpholin-4-ylpropan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for N-(1-morpholin-4-ylpropan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for N-(1-morpholin-4-ylpropan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is CC(CN1CCOCC1)NC1=NC2CCCCC2CS1.
What is the InChIKey of N-(1-morpholin-4-ylpropan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The InChIKey is WZOVEOPXWHMVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-12(10-18-6-8-19-9-7-18)16-15-17-14-5-3-2-4-13(14)11-20-15/h12-14H,2-11H2,1H3,(H,16,17).
What are the key properties of N-(1-morpholin-4-ylpropan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
N-(1-morpholin-4-ylpropan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine has a molecular weight of 297.47 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-ylpropan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 106363013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).