N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride

C13H18ClN3O2S — CID 120508598

IUPACN-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
SMILESCC1Sc2ccc(C(=O)N[C@@H](C)CN)cc2NC1=O.Cl
InChIInChI=1S/C13H17N3O2S.ClH/c1-7(6-14)15-13(18)9-3-4-11-10(5-9)16-12(17)8(2)19-11;/h3-5,7-8H,6,14H2,1-2H3,(H,15,18)(H,16,17);1H/t7-,8?;/m0./s1
InChIKeyDLFDTTZABWLCPW-JPPWUZRISA-N
MW315.83 g/mol
LogP1.62
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride (PubChem CID 120508598) has the molecular formula C13H18ClN3O2S and a molecular weight of 315.83 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
PubChem CID120508598
Molecular FormulaC13H18ClN3O2S
Molecular Weight315.83 g/mol
Exact Mass315.08
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
SMILESCC1Sc2ccc(C(=O)N[C@@H](C)CN)cc2NC1=O.Cl
InChIInChI=1S/C13H17N3O2S.ClH/c1-7(6-14)15-13(18)9-3-4-11-10(5-9)16-12(17)8(2)19-11;/h3-5,7-8H,6,14H2,1-2H3,(H,15,18)(H,16,17);1H/t7-,8?;/m0./s1
InChIKeyDLFDTTZABWLCPW-JPPWUZRISA-N
XLogP1.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 119614087
2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42889102
(2S,3S)-3-methyl-2-[(2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]pentanoic acid
CID 119194206
(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27745078
(2R)-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 41074467
N-[(2S)-1-aminopropan-2-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide;hydrochloride
CID 120507401
2-methyl-3-oxo-N-[1-(4-phenylphenyl)ethyl]-4H-1,4-benzothiazine-6-carboxamide
CID 112761412
N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 116847999
(2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27231270
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 119573240
N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 86909674
(3R)-3-(4-fluorophenyl)-3-[[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]propanoic acid
CID 125149794

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride (CID 120508598) is N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride is CC1Sc2ccc(C(=O)N[C@@H](C)CN)cc2NC1=O.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
The InChIKey is DLFDTTZABWLCPW-JPPWUZRISA-N. The full InChI is InChI=1S/C13H17N3O2S.ClH/c1-7(6-14)15-13(18)9-3-4-11-10(5-9)16-12(17)8(2)19-11;/h3-5,7-8H,6,14H2,1-2H3,(H,15,18)(H,16,17);1H/t7-,8?;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride has a molecular weight of 315.83 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride is sourced from PubChem (CID 120508598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).