1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine

C15H24N2S — CID 84639629

IUPAC1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine
SMILESCC(N)CN1CCSc2cccc(C(C)(C)C)c21
InChIInChI=1S/C15H24N2S/c1-11(16)10-17-8-9-18-13-7-5-6-12(14(13)17)15(2,3)4/h5-7,11H,8-10,16H2,1-4H3
InChIKeyVIZHXWUAXRJRAN-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.24
Rot. Bonds2

About 1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine

1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine (PubChem CID 84639629) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine
PubChem CID84639629
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine
SMILESCC(N)CN1CCSc2cccc(C(C)(C)C)c21
InChIInChI=1S/C15H24N2S/c1-11(16)10-17-8-9-18-13-7-5-6-12(14(13)17)15(2,3)4/h5-7,11H,8-10,16H2,1-4H3
InChIKeyVIZHXWUAXRJRAN-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine?
The IUPAC name of 1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine (CID 84639629) is 1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine.
What is the SMILES notation for 1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine?
The canonical SMILES for 1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine is CC(N)CN1CCSc2cccc(C(C)(C)C)c21.
What is the InChIKey of 1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine?
The InChIKey is VIZHXWUAXRJRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-11(16)10-17-8-9-18-13-7-5-6-12(14(13)17)15(2,3)4/h5-7,11H,8-10,16H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine?
1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine has a molecular weight of 264.44 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine is sourced from PubChem (CID 84639629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).