6-[2-(aminomethyl)piperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride

C16H22ClN3O2S — CID 119467122

IUPAC6-[2-(aminomethyl)piperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride
SMILESCC1Sc2ccc(C(=O)N3CCCCC3CN)cc2NC1=O.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-10-15(20)18-13-8-11(5-6-14(13)22-10)16(21)19-7-3-2-4-12(19)9-17;/h5-6,8,10,12H,2-4,7,9,17H2,1H3,(H,18,20);1H
InChIKeyNKBDATMJODISGJ-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.49
Rot. Bonds2

About 6-[2-(aminomethyl)piperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride

6-[2-(aminomethyl)piperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride (PubChem CID 119467122) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is 6-[2-(aminomethyl)piperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride.

Molecular Properties

Compound Name6-[2-(aminomethyl)piperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride
PubChem CID119467122
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC Name6-[2-(aminomethyl)piperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride
SMILESCC1Sc2ccc(C(=O)N3CCCCC3CN)cc2NC1=O.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-10-15(20)18-13-8-11(5-6-14(13)22-10)16(21)19-7-3-2-4-12(19)9-17;/h5-6,8,10,12H,2-4,7,9,17H2,1H3,(H,18,20);1H
InChIKeyNKBDATMJODISGJ-UHFFFAOYSA-N
XLogP2.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-(aminomethyl)piperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride with MolForge

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Related Compounds

(2S)-6-[(2S,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one
CID 124690618
6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride
CID 119484319
(2R)-6-(azepane-1-carbonyl)-2-methyl-4H-1,4-benzothiazin-3-one
CID 7779318
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]piperidine-4-carboxylic acid
CID 125145617
6-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one
CID 51338958
ethyl 1-(2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperidine-3-carboxylate
CID 42909338
ethyl (3R)-1-[(2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]piperidine-3-carboxylate
CID 26710297
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 119467995
2-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-chloro-4H-1,4-benzothiazin-3-one;hydrochloride
CID 119631476
2-methyl-6-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-4H-1,4-benzothiazin-3-one;hydrochloride
CID 120997087
3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119468634
4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 119260194

Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)piperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride?
The IUPAC name of 6-[2-(aminomethyl)piperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride (CID 119467122) is 6-[2-(aminomethyl)piperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride.
What is the SMILES notation for 6-[2-(aminomethyl)piperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride?
The canonical SMILES for 6-[2-(aminomethyl)piperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride is CC1Sc2ccc(C(=O)N3CCCCC3CN)cc2NC1=O.Cl.
What is the InChIKey of 6-[2-(aminomethyl)piperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride?
The InChIKey is NKBDATMJODISGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S.ClH/c1-10-15(20)18-13-8-11(5-6-14(13)22-10)16(21)19-7-3-2-4-12(19)9-17;/h5-6,8,10,12H,2-4,7,9,17H2,1H3,(H,18,20);1H.
What are the key properties of 6-[2-(aminomethyl)piperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride?
6-[2-(aminomethyl)piperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride has a molecular weight of 355.89 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)piperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one;hydrochloride is sourced from PubChem (CID 119467122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).