N-methyl-1-(3,5,7-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine

C13H20N2S — CID 84628536

IUPACN-methyl-1-(3,5,7-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine
SMILESCNCC1Sc2cc(C)cc(C)c2NC1C
InChIInChI=1S/C13H20N2S/c1-8-5-9(2)13-11(6-8)16-12(7-14-4)10(3)15-13/h5-6,10,12,14-15H,7H2,1-4H3
InChIKeyZJCRLXYPHBCHFR-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.80
Rot. Bonds2

About N-methyl-1-(3,5,7-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine

N-methyl-1-(3,5,7-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine (PubChem CID 84628536) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-methyl-1-(3,5,7-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3,5,7-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine
PubChem CID84628536
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-methyl-1-(3,5,7-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine
SMILESCNCC1Sc2cc(C)cc(C)c2NC1C
InChIInChI=1S/C13H20N2S/c1-8-5-9(2)13-11(6-8)16-12(7-14-4)10(3)15-13/h5-6,10,12,14-15H,7H2,1-4H3
InChIKeyZJCRLXYPHBCHFR-UHFFFAOYSA-N
XLogP2.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3,5,7-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine?
The IUPAC name of N-methyl-1-(3,5,7-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine (CID 84628536) is N-methyl-1-(3,5,7-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3,5,7-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(3,5,7-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine is CNCC1Sc2cc(C)cc(C)c2NC1C.
What is the InChIKey of N-methyl-1-(3,5,7-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine?
The InChIKey is ZJCRLXYPHBCHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-8-5-9(2)13-11(6-8)16-12(7-14-4)10(3)15-13/h5-6,10,12,14-15H,7H2,1-4H3.
What are the key properties of N-methyl-1-(3,5,7-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine?
N-methyl-1-(3,5,7-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine has a molecular weight of 236.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3,5,7-trimethyl-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methanamine is sourced from PubChem (CID 84628536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).