2,2-dioxo-N-prop-2-enyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C11H13N3O3S — CID 9399692

IUPAC2,2-dioxo-N-prop-2-enyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESC=CCNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C11H13N3O3S/c1-2-5-12-11(15)9-3-4-10-13-18(16,17)7-6-14(10)8-9/h2-4,8H,1,5-7H2,(H,12,15)
InChIKeyCHTIBZKCYULELZ-UHFFFAOYSA-N
MW267.31 g/mol
LogP-0.21
Rot. Bonds3

About 2,2-dioxo-N-prop-2-enyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

2,2-dioxo-N-prop-2-enyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 9399692) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2,2-dioxo-N-prop-2-enyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-prop-2-enyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID9399692
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name2,2-dioxo-N-prop-2-enyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESC=CCNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C11H13N3O3S/c1-2-5-12-11(15)9-3-4-10-13-18(16,17)7-6-14(10)8-9/h2-4,8H,1,5-7H2,(H,12,15)
InChIKeyCHTIBZKCYULELZ-UHFFFAOYSA-N
XLogP-0.21
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-N-prop-2-enyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of 2,2-dioxo-N-prop-2-enyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 9399692) is 2,2-dioxo-N-prop-2-enyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for 2,2-dioxo-N-prop-2-enyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for 2,2-dioxo-N-prop-2-enyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is C=CCNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of 2,2-dioxo-N-prop-2-enyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is CHTIBZKCYULELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-2-5-12-11(15)9-3-4-10-13-18(16,17)7-6-14(10)8-9/h2-4,8H,1,5-7H2,(H,12,15).
What are the key properties of 2,2-dioxo-N-prop-2-enyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
2,2-dioxo-N-prop-2-enyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 267.31 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-prop-2-enyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 9399692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).