6-[(3-amino-2-methylpropyl)amino]-2-methyl-4H-1,4-benzothiazin-3-one

C13H19N3OS — CID 115198294

IUPAC6-[(3-amino-2-methylpropyl)amino]-2-methyl-4H-1,4-benzothiazin-3-one
SMILESCC(CN)CNc1ccc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C13H19N3OS/c1-8(6-14)7-15-10-3-4-12-11(5-10)16-13(17)9(2)18-12/h3-5,8-9,15H,6-7,14H2,1-2H3,(H,16,17)
InChIKeyXWIGKVWAGOYGRP-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.13
Rot. Bonds4

About 6-[(3-amino-2-methylpropyl)amino]-2-methyl-4H-1,4-benzothiazin-3-one

6-[(3-amino-2-methylpropyl)amino]-2-methyl-4H-1,4-benzothiazin-3-one (PubChem CID 115198294) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 6-[(3-amino-2-methylpropyl)amino]-2-methyl-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[(3-amino-2-methylpropyl)amino]-2-methyl-4H-1,4-benzothiazin-3-one
PubChem CID115198294
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name6-[(3-amino-2-methylpropyl)amino]-2-methyl-4H-1,4-benzothiazin-3-one
SMILESCC(CN)CNc1ccc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C13H19N3OS/c1-8(6-14)7-15-10-3-4-12-11(5-10)16-13(17)9(2)18-12/h3-5,8-9,15H,6-7,14H2,1-2H3,(H,16,17)
InChIKeyXWIGKVWAGOYGRP-UHFFFAOYSA-N
XLogP2.13
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-amino-2-methylpropyl)-2-methyl-4H-1,4-benzothiazin-3-one
CID 116924753
2-amino-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 82499331
6-(azetidin-3-ylmethylamino)-2-methyl-4H-1,4-benzothiazin-3-one
CID 115207285
N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 120508598
N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamoyl bromide
CID 115193305
6-[3-amino-1-(methylamino)propyl]-2-methyl-4H-1,4-benzothiazin-3-one
CID 116948439
2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42889102
6-(2-aminobutan-2-yl)-2-methyl-4H-1,4-benzothiazin-3-one
CID 82480963
6-[2-(aminomethylamino)ethyl]-2-methyl-4H-1,4-benzothiazin-3-one
CID 115226094
6-[(4-amino-2-methylbutyl)amino]-4H-1,4-benzothiazin-3-one
CID 115202348
6-(1-amino-2-chloroethyl)-2-methyl-4H-1,4-benzothiazin-3-one
CID 116937588
benzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate
CID 110778827

Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-2-methylpropyl)amino]-2-methyl-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[(3-amino-2-methylpropyl)amino]-2-methyl-4H-1,4-benzothiazin-3-one (CID 115198294) is 6-[(3-amino-2-methylpropyl)amino]-2-methyl-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[(3-amino-2-methylpropyl)amino]-2-methyl-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[(3-amino-2-methylpropyl)amino]-2-methyl-4H-1,4-benzothiazin-3-one is CC(CN)CNc1ccc2c(c1)NC(=O)C(C)S2.
What is the InChIKey of 6-[(3-amino-2-methylpropyl)amino]-2-methyl-4H-1,4-benzothiazin-3-one?
The InChIKey is XWIGKVWAGOYGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-8(6-14)7-15-10-3-4-12-11(5-10)16-13(17)9(2)18-12/h3-5,8-9,15H,6-7,14H2,1-2H3,(H,16,17).
What are the key properties of 6-[(3-amino-2-methylpropyl)amino]-2-methyl-4H-1,4-benzothiazin-3-one?
6-[(3-amino-2-methylpropyl)amino]-2-methyl-4H-1,4-benzothiazin-3-one has a molecular weight of 265.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-amino-2-methylpropyl)amino]-2-methyl-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 115198294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).