1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid

C13H15N3O5S — CID 119354968

IUPAC1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1
InChIInChI=1S/C13H15N3O5S/c17-12(16-4-3-10(8-16)13(18)19)9-1-2-11-14-22(20,21)6-5-15(11)7-9/h1-2,7,10H,3-6,8H2,(H,18,19)
InChIKeyWQPZOABTIQCEGJ-UHFFFAOYSA-N
MW325.35 g/mol
LogP-0.58
Rot. Bonds2

About 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid

1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119354968) has the molecular formula C13H15N3O5S and a molecular weight of 325.35 g/mol. Its IUPAC name is 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119354968
Molecular FormulaC13H15N3O5S
Molecular Weight325.35 g/mol
Exact Mass325.07
IUPAC Name1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1
InChIInChI=1S/C13H15N3O5S/c17-12(16-4-3-10(8-16)13(18)19)9-1-2-11-14-22(20,21)6-5-15(11)7-9/h1-2,7,10H,3-6,8H2,(H,18,19)
InChIKeyWQPZOABTIQCEGJ-UHFFFAOYSA-N
XLogP-0.58
TPSA107.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidine-3-carboxylic acid
CID 119113438
(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648071
[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32771092
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperazin-1-yl]methanone
CID 41022606
prop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
CID 47110644
[(2S)-4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 92525806
N-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
CID 119630347
N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 51949947
N-cyclopropyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 30832399
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
CID 95351884
1-(2-acetylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119353894
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 40810687

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid (CID 119354968) is 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1.
What is the InChIKey of 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WQPZOABTIQCEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5S/c17-12(16-4-3-10(8-16)13(18)19)9-1-2-11-14-22(20,21)6-5-15(11)7-9/h1-2,7,10H,3-6,8H2,(H,18,19).
What are the key properties of 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid?
1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 325.35 g/mol, XLogP of -0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).