3-(6-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine

C12H18N2S — CID 84624242

IUPAC3-(6-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine
SMILESCc1ccc2c(c1)N(CCCN)CCS2
InChIInChI=1S/C12H18N2S/c1-10-3-4-12-11(9-10)14(6-2-5-13)7-8-15-12/h3-4,9H,2,5-8,13H2,1H3
InChIKeyZRQLURXMTJNUON-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.26
Rot. Bonds3

About 3-(6-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine

3-(6-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine (PubChem CID 84624242) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 3-(6-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine
PubChem CID84624242
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name3-(6-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine
SMILESCc1ccc2c(c1)N(CCCN)CCS2
InChIInChI=1S/C12H18N2S/c1-10-3-4-12-11(9-10)14(6-2-5-13)7-8-15-12/h3-4,9H,2,5-8,13H2,1H3
InChIKeyZRQLURXMTJNUON-UHFFFAOYSA-N
XLogP2.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine
CID 84628593
4-octyl-2,3-dihydro-1,4-benzothiazin-6-amine
CID 63533513
4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
CID 61481917
3-(7-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-1-amine
CID 84635293
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]butan-1-one
CID 20932168
4-(2-ethylsulfonylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine
CID 54905258
6-methyl-2,3-dihydro-1,4-benzodithiine
CID 11789864
4-[3-(oxolan-2-yl)propyl]-2,3-dihydro-1,4-benzothiazin-6-amine
CID 65162674
2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82096930
[4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 20876304
4-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzothiazin-6-amine
CID 55237866
2-(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl-ethylcarbamic acid
CID 66704577

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine?
The IUPAC name of 3-(6-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine (CID 84624242) is 3-(6-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine.
What is the SMILES notation for 3-(6-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine?
The canonical SMILES for 3-(6-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine is Cc1ccc2c(c1)N(CCCN)CCS2.
What is the InChIKey of 3-(6-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine?
The InChIKey is ZRQLURXMTJNUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-10-3-4-12-11(9-10)14(6-2-5-13)7-8-15-12/h3-4,9H,2,5-8,13H2,1H3.
What are the key properties of 3-(6-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine?
3-(6-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine has a molecular weight of 222.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-amine is sourced from PubChem (CID 84624242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).