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

C15H28N2OS — CID 106363906

IUPACN-(1-ethoxy-3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCCOCC(NC1=NC2CCCCC2CS1)C(C)C
InChIInChI=1S/C15H28N2OS/c1-4-18-9-14(11(2)3)17-15-16-13-8-6-5-7-12(13)10-19-15/h11-14H,4-10H2,1-3H3,(H,16,17)
InChIKeyFITAQFTVUTXJIK-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.30
Rot. Bonds5

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

N-(1-ethoxy-3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (PubChem CID 106363906) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
PubChem CID106363906
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(1-ethoxy-3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCCOCC(NC1=NC2CCCCC2CS1)C(C)C
InChIInChI=1S/C15H28N2OS/c1-4-18-9-14(11(2)3)17-15-16-13-8-6-5-7-12(13)10-19-15/h11-14H,4-10H2,1-3H3,(H,16,17)
InChIKeyFITAQFTVUTXJIK-UHFFFAOYSA-N
XLogP3.30
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (CID 106363906) is N-(1-ethoxy-3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for N-(1-ethoxy-3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for N-(1-ethoxy-3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is CCOCC(NC1=NC2CCCCC2CS1)C(C)C.
What is the InChIKey of N-(1-ethoxy-3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The InChIKey is FITAQFTVUTXJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-4-18-9-14(11(2)3)17-15-16-13-8-6-5-7-12(13)10-19-15/h11-14H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-(1-ethoxy-3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
N-(1-ethoxy-3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine has a molecular weight of 284.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 106363906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).