N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide

C13H15N3O2S — CID 63006250

IUPACN-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
SMILESO=C1CSc2ccc(NC(=O)C3CCNC3)cc2N1
InChIInChI=1S/C13H15N3O2S/c17-12-7-19-11-2-1-9(5-10(11)16-12)15-13(18)8-3-4-14-6-8/h1-2,5,8,14H,3-4,6-7H2,(H,15,18)(H,16,17)
InChIKeyCEYMRZDZRPLRBC-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.28
Rot. Bonds2

About N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide

N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide (PubChem CID 63006250) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
PubChem CID63006250
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
SMILESO=C1CSc2ccc(NC(=O)C3CCNC3)cc2N1
InChIInChI=1S/C13H15N3O2S/c17-12-7-19-11-2-1-9(5-10(11)16-12)15-13(18)8-3-4-14-6-8/h1-2,5,8,14H,3-4,6-7H2,(H,15,18)(H,16,17)
InChIKeyCEYMRZDZRPLRBC-UHFFFAOYSA-N
XLogP1.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 81124708
(3R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 81124785
6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 112728654
3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide
CID 66008736
3-[(3-oxo-4H-1,4-benzothiazin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120549167
(2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide
CID 103808228
4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
CID 63716289
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 113219045
2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 60867171
3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762
2-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyridine-4-carboxamide
CID 103763504

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide (CID 63006250) is N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide is O=C1CSc2ccc(NC(=O)C3CCNC3)cc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide?
The InChIKey is CEYMRZDZRPLRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-12-7-19-11-2-1-9(5-10(11)16-12)15-13(18)8-3-4-14-6-8/h1-2,5,8,14H,3-4,6-7H2,(H,15,18)(H,16,17).
What are the key properties of N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide?
N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63006250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).