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

C10H14N2S — CID 115095816

IUPAC(3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine
SMILESCC1CSc2cccc(CN)c2N1
InChIInChI=1S/C10H14N2S/c1-7-6-13-9-4-2-3-8(5-11)10(9)12-7/h2-4,7,12H,5-6,11H2,1H3
InChIKeyRIYJXOAKIPACLJ-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.05
Rot. Bonds1

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

(3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine (PubChem CID 115095816) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is (3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine
PubChem CID115095816
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name(3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine
SMILESCC1CSc2cccc(CN)c2N1
InChIInChI=1S/C10H14N2S/c1-7-6-13-9-4-2-3-8(5-11)10(9)12-7/h2-4,7,12H,5-6,11H2,1H3
InChIKeyRIYJXOAKIPACLJ-UHFFFAOYSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619205
(2-methyl-2,3-dihydro-1H-indol-7-yl)methanamine
CID 117203931
3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
CID 84628515
3-tert-butyl-5-ethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84628238
(5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine
CID 84637559
3-methyl-3,4-dihydro-2H-1,4-benzothiazepine-5-thione
CID 130009663
3-methyl-3,4-dihydro-2H-1,4-benzothiazin-8-amine
CID 115096003
2-(5-tert-butyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
CID 84634436
6-chloro-3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
CID 105356321
(3S)-3-methyl-2,3,4,5-tetrahydro-1,4-benzothiazepine
CID 97300354
5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 115095793
N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine
CID 84621166

Frequently Asked Questions

What is the IUPAC name of (3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine?
The IUPAC name of (3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine (CID 115095816) is (3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine.
What is the SMILES notation for (3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine?
The canonical SMILES for (3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine is CC1CSc2cccc(CN)c2N1.
What is the InChIKey of (3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine?
The InChIKey is RIYJXOAKIPACLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-7-6-13-9-4-2-3-8(5-11)10(9)12-7/h2-4,7,12H,5-6,11H2,1H3.
What are the key properties of (3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine?
(3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine has a molecular weight of 194.30 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine is sourced from PubChem (CID 115095816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).