N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride

C13H18ClN3O2S — CID 120508487

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CN1C(=O)CSc2ccccc21.Cl
InChIInChI=1S/C13H17N3O2S.ClH/c1-9(6-14)15-12(17)7-16-10-4-2-3-5-11(10)19-8-13(16)18;/h2-5,9H,6-8,14H2,1H3,(H,15,17);1H/t9-;/m0./s1
InChIKeyZIFKZQVIBMHGET-FVGYRXGTSA-N
MW315.83 g/mol
LogP1.01
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride (PubChem CID 120508487) 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-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
PubChem CID120508487
Molecular FormulaC13H18ClN3O2S
Molecular Weight315.83 g/mol
Exact Mass315.08
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CN1C(=O)CSc2ccccc21.Cl
InChIInChI=1S/C13H17N3O2S.ClH/c1-9(6-14)15-12(17)7-16-10-4-2-3-5-11(10)19-8-13(16)18;/h2-5,9H,6-8,14H2,1H3,(H,15,17);1H/t9-;/m0./s1
InChIKeyZIFKZQVIBMHGET-FVGYRXGTSA-N
XLogP1.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 119585948
N-(1-aminohexan-2-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119665475
N-butan-2-yl-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]propanamide
CID 71936370
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 18196027
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30997351
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 55961677
N-(2,6-dimethylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195903
N-[cyclopropyl(phenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18131651
2-(3-oxo-1,4-benzothiazin-4-yl)-N-prop-2-ynylacetamide
CID 18110081
N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119430219
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 8673616
(3S)-3-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-3-thiophen-2-ylpropanoic acid
CID 125146937

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride (CID 120508487) is N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride is C[C@@H](CN)NC(=O)CN1C(=O)CSc2ccccc21.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride?
The InChIKey is ZIFKZQVIBMHGET-FVGYRXGTSA-N. The full InChI is InChI=1S/C13H17N3O2S.ClH/c1-9(6-14)15-12(17)7-16-10-4-2-3-5-11(10)19-8-13(16)18;/h2-5,9H,6-8,14H2,1H3,(H,15,17);1H/t9-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride has a molecular weight of 315.83 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120508487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).