(2,5-dimethylmorpholin-4-yl)-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone

C14H19N3O4S — CID 55587045

IUPAC(2,5-dimethylmorpholin-4-yl)-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone
SMILESCC1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C(C)CO1
InChIInChI=1S/C14H19N3O4S/c1-10-9-21-11(2)7-17(10)14(18)12-3-4-13-15-22(19,20)6-5-16(13)8-12/h3-4,8,10-11H,5-7,9H2,1-2H3
InChIKeySBXNNCGQSWLNCJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.12
Rot. Bonds1

About (2,5-dimethylmorpholin-4-yl)-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone

(2,5-dimethylmorpholin-4-yl)-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone (PubChem CID 55587045) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is (2,5-dimethylmorpholin-4-yl)-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylmorpholin-4-yl)-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone
PubChem CID55587045
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name(2,5-dimethylmorpholin-4-yl)-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone
SMILESCC1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C(C)CO1
InChIInChI=1S/C14H19N3O4S/c1-10-9-21-11(2)7-17(10)14(18)12-3-4-13-15-22(19,20)6-5-16(13)8-12/h3-4,8,10-11H,5-7,9H2,1-2H3
InChIKeySBXNNCGQSWLNCJ-UHFFFAOYSA-N
XLogP0.12
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
CID 55374892
2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
CID 119428877
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 30755038
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 27447119
5-(2,5-dimethylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 43420937
[(2S,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 94200534
(5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43424620
1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one
CID 107022948
(4-chloro-6-methyl-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81226044
3-(2,5-dimethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43420922
(2,5-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methanone
CID 110727631
(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
CID 110727642

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylmorpholin-4-yl)-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone?
The IUPAC name of (2,5-dimethylmorpholin-4-yl)-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone (CID 55587045) is (2,5-dimethylmorpholin-4-yl)-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone.
What is the SMILES notation for (2,5-dimethylmorpholin-4-yl)-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone?
The canonical SMILES for (2,5-dimethylmorpholin-4-yl)-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone is CC1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C(C)CO1.
What is the InChIKey of (2,5-dimethylmorpholin-4-yl)-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone?
The InChIKey is SBXNNCGQSWLNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-10-9-21-11(2)7-17(10)14(18)12-3-4-13-15-22(19,20)6-5-16(13)8-12/h3-4,8,10-11H,5-7,9H2,1-2H3.
What are the key properties of (2,5-dimethylmorpholin-4-yl)-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone?
(2,5-dimethylmorpholin-4-yl)-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone has a molecular weight of 325.39 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylmorpholin-4-yl)-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone is sourced from PubChem (CID 55587045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).