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

C14H22N2S — CID 84633958

IUPAC2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
SMILESCC(C)(C)c1cccc2c1N(CCN)CCS2
InChIInChI=1S/C14H22N2S/c1-14(2,3)11-5-4-6-12-13(11)16(8-7-15)9-10-17-12/h4-6H,7-10,15H2,1-3H3
InChIKeyCCRNZTDVZNDFMX-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.85
Rot. Bonds2

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

2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine (PubChem CID 84633958) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
PubChem CID84633958
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
SMILESCC(C)(C)c1cccc2c1N(CCN)CCS2
InChIInChI=1S/C14H22N2S/c1-14(2,3)11-5-4-6-12-13(11)16(8-7-15)9-10-17-12/h4-6H,7-10,15H2,1-3H3
InChIKeyCCRNZTDVZNDFMX-UHFFFAOYSA-N
XLogP2.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
CID 84639627
1-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-2-amine
CID 84639629
2-(5-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
CID 84621697
5-tert-butyl-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
CID 84628245
5-bromo-4-methyl-2,3-dihydro-1,4-benzothiazine
CID 84631089
3-(2-aminoethyl)-1,3-thiazolidin-2-one
CID 82502518
3-amino-1-(5-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 84644601
2-(aminomethyl)-5-tert-butyl-4H-1,4-benzothiazin-3-one
CID 84633866
3-(2-aminoethyl)-4-tert-butyl-1,3-benzothiazol-2-one
CID 84633867
3-(6-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine
CID 84624242
5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid
CID 84639980
3-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2,2-dimethylpropan-1-one
CID 113307633

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine?
The IUPAC name of 2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine (CID 84633958) is 2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine.
What is the SMILES notation for 2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine?
The canonical SMILES for 2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine is CC(C)(C)c1cccc2c1N(CCN)CCS2.
What is the InChIKey of 2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine?
The InChIKey is CCRNZTDVZNDFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-14(2,3)11-5-4-6-12-13(11)16(8-7-15)9-10-17-12/h4-6H,7-10,15H2,1-3H3.
What are the key properties of 2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine?
2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine has a molecular weight of 250.41 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine is sourced from PubChem (CID 84633958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).