3-(6,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylpropan-1-amine

C14H22N2S — CID 84634001

IUPAC3-(6,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylpropan-1-amine
SMILESCNCCCC1CSc2c(C)cc(C)cc2N1
InChIInChI=1S/C14H22N2S/c1-10-7-11(2)14-13(8-10)16-12(9-17-14)5-4-6-15-3/h7-8,12,15-16H,4-6,9H2,1-3H3
InChIKeyYYBYWBZDUUWDMR-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.19
Rot. Bonds4

About 3-(6,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylpropan-1-amine

3-(6,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylpropan-1-amine (PubChem CID 84634001) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 3-(6,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylpropan-1-amine
PubChem CID84634001
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name3-(6,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylpropan-1-amine
SMILESCNCCCC1CSc2c(C)cc(C)cc2N1
InChIInChI=1S/C14H22N2S/c1-10-7-11(2)14-13(8-10)16-12(9-17-14)5-4-6-15-3/h7-8,12,15-16H,4-6,9H2,1-3H3
InChIKeyYYBYWBZDUUWDMR-UHFFFAOYSA-N
XLogP3.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
CID 84628599
N-methyl-3-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
CID 84628505
3-(5,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol
CID 84628954
2-(6-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
CID 84621176
3-(3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 54776136
N,7,9-trimethyl-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 43539202
N-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine
CID 117198308
2-(5-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylethanamine
CID 84630665
N-methyl-2-(2,6,8-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanamine
CID 84633996
3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82229951
3-(7-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol
CID 84634423
3-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-1-amine
CID 117202070

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(6,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylpropan-1-amine (CID 84634001) is 3-(6,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(6,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(6,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylpropan-1-amine is CNCCCC1CSc2c(C)cc(C)cc2N1.
What is the InChIKey of 3-(6,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylpropan-1-amine?
The InChIKey is YYBYWBZDUUWDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-7-11(2)14-13(8-10)16-12(9-17-14)5-4-6-15-3/h7-8,12,15-16H,4-6,9H2,1-3H3.
What are the key properties of 3-(6,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylpropan-1-amine?
3-(6,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylpropan-1-amine has a molecular weight of 250.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 84634001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).