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

C14H17N3O5S — CID 119113438

IUPAC(3S)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1
InChIInChI=1S/C14H17N3O5S/c18-13(17-5-1-2-11(9-17)14(19)20)10-3-4-12-15-23(21,22)7-6-16(12)8-10/h3-4,8,11H,1-2,5-7,9H2,(H,19,20)/t11-/m0/s1
InChIKeyCBWUKFRLDGLAEL-NSHDSACASA-N
MW339.37 g/mol
LogP-0.19
Rot. Bonds2

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

(3S)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidine-3-carboxylic acid (PubChem CID 119113438) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is (3S)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidine-3-carboxylic acid
PubChem CID119113438
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Name(3S)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1
InChIInChI=1S/C14H17N3O5S/c18-13(17-5-1-2-11(9-17)14(19)20)10-3-4-12-15-23(21,22)7-6-16(12)8-10/h3-4,8,11H,1-2,5-7,9H2,(H,19,20)/t11-/m0/s1
InChIKeyCBWUKFRLDGLAEL-NSHDSACASA-N
XLogP-0.19
TPSA107.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354968
(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
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
N-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
CID 119630347
(3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 107971610
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
[(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
N-cyclopropyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 30832399

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidine-3-carboxylic acid (CID 119113438) is (3S)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1.
What is the InChIKey of (3S)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is CBWUKFRLDGLAEL-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O5S/c18-13(17-5-1-2-11(9-17)14(19)20)10-3-4-12-15-23(21,22)7-6-16(12)8-10/h3-4,8,11H,1-2,5-7,9H2,(H,19,20)/t11-/m0/s1.
What are the key properties of (3S)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 339.37 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 119113438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).