7-(aminomethyl)-10-methylphenothiazine-3-carboxylic acid

C15H14N2O2S — CID 59105026

IUPAC7-(aminomethyl)-10-methylphenothiazine-3-carboxylic acid
SMILESCN1c2ccc(CN)cc2Sc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H14N2O2S/c1-17-11-4-2-9(8-16)6-13(11)20-14-7-10(15(18)19)3-5-12(14)17/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyBSXXPIDAVDYXAU-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.08
Rot. Bonds2

About 7-(aminomethyl)-10-methylphenothiazine-3-carboxylic acid

7-(aminomethyl)-10-methylphenothiazine-3-carboxylic acid (PubChem CID 59105026) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 7-(aminomethyl)-10-methylphenothiazine-3-carboxylic acid.

Molecular Properties

Compound Name7-(aminomethyl)-10-methylphenothiazine-3-carboxylic acid
PubChem CID59105026
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name7-(aminomethyl)-10-methylphenothiazine-3-carboxylic acid
SMILESCN1c2ccc(CN)cc2Sc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H14N2O2S/c1-17-11-4-2-9(8-16)6-13(11)20-14-7-10(15(18)19)3-5-12(14)17/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyBSXXPIDAVDYXAU-UHFFFAOYSA-N
XLogP3.08
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

10-methylpyrido[3,2-b][1,4]benzothiazine-7-carboxylic acid
CID 110179869
3,7-diethyl-10-methylphenothiazine
CID 130181273
(7-amino-10-methylphenothiazin-3-yl)-phenylmethanone
CID 44968124
thianthrene-2,7-dicarboxylic acid;hydrochloride
CID 175394841
(2E)-2-[(1-benzylquinolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole-6-carboxylic acid
CID 59832377
4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol
CID 159984527
3-[4-[4-(aminomethyl)phenyl]phenyl]-4-chlorobenzoic acid
CID 68551105
6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid
CID 86081762
4-[(E)-4-[4-(aminomethyl)phenyl]-1-oxobut-2-en-2-yl]benzoic acid
CID 174343021
2-(aminomethyl)-1-methylindole-5-carboxylic acid
CID 83832423
4-[[[4-(aminomethyl)phenyl]methylamino]methyl]benzoic acid
CID 168845586
3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride
CID 138038044

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-10-methylphenothiazine-3-carboxylic acid?
The IUPAC name of 7-(aminomethyl)-10-methylphenothiazine-3-carboxylic acid (CID 59105026) is 7-(aminomethyl)-10-methylphenothiazine-3-carboxylic acid.
What is the SMILES notation for 7-(aminomethyl)-10-methylphenothiazine-3-carboxylic acid?
The canonical SMILES for 7-(aminomethyl)-10-methylphenothiazine-3-carboxylic acid is CN1c2ccc(CN)cc2Sc2cc(C(=O)O)ccc21.
What is the InChIKey of 7-(aminomethyl)-10-methylphenothiazine-3-carboxylic acid?
The InChIKey is BSXXPIDAVDYXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-17-11-4-2-9(8-16)6-13(11)20-14-7-10(15(18)19)3-5-12(14)17/h2-7H,8,16H2,1H3,(H,18,19).
What are the key properties of 7-(aminomethyl)-10-methylphenothiazine-3-carboxylic acid?
7-(aminomethyl)-10-methylphenothiazine-3-carboxylic acid has a molecular weight of 286.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-10-methylphenothiazine-3-carboxylic acid is sourced from PubChem (CID 59105026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).