2-(3,4-dimethyl-7-propan-2-yl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine

C15H24N2S — CID 84639599

IUPAC2-(3,4-dimethyl-7-propan-2-yl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine
SMILESCC(C)c1ccc2c(c1)SC(CCN)C(C)N2C
InChIInChI=1S/C15H24N2S/c1-10(2)12-5-6-13-15(9-12)18-14(7-8-16)11(3)17(13)4/h5-6,9-11,14H,7-8,16H2,1-4H3
InChIKeyMXSISAQKXWUBKG-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.46
Rot. Bonds3

About 2-(3,4-dimethyl-7-propan-2-yl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine

2-(3,4-dimethyl-7-propan-2-yl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine (PubChem CID 84639599) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-(3,4-dimethyl-7-propan-2-yl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethyl-7-propan-2-yl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine
PubChem CID84639599
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name2-(3,4-dimethyl-7-propan-2-yl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine
SMILESCC(C)c1ccc2c(c1)SC(CCN)C(C)N2C
InChIInChI=1S/C15H24N2S/c1-10(2)12-5-6-13-15(9-12)18-14(7-8-16)11(3)17(13)4/h5-6,9-11,14H,7-8,16H2,1-4H3
InChIKeyMXSISAQKXWUBKG-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-7-propan-2-yl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethyl-7-propan-2-yl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine (CID 84639599) is 2-(3,4-dimethyl-7-propan-2-yl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethyl-7-propan-2-yl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethyl-7-propan-2-yl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine is CC(C)c1ccc2c(c1)SC(CCN)C(C)N2C.
What is the InChIKey of 2-(3,4-dimethyl-7-propan-2-yl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine?
The InChIKey is MXSISAQKXWUBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-10(2)12-5-6-13-15(9-12)18-14(7-8-16)11(3)17(13)4/h5-6,9-11,14H,7-8,16H2,1-4H3.
What are the key properties of 2-(3,4-dimethyl-7-propan-2-yl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine?
2-(3,4-dimethyl-7-propan-2-yl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine has a molecular weight of 264.44 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-7-propan-2-yl-2,3-dihydro-1,4-benzothiazin-2-yl)ethanamine is sourced from PubChem (CID 84639599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).