1,1-dioxo-2H-1,4-thiazine-6-carboxamide

C5H6N2O3S — CID 145271116

IUPAC1,1-dioxo-2H-1,4-thiazine-6-carboxamide
SMILESNC(=O)C1=CN=CCS1(=O)=O
InChIInChI=1S/C5H6N2O3S/c6-5(8)4-3-7-1-2-11(4,9)10/h1,3H,2H2,(H2,6,8)
InChIKeyZTSKEKPQLFMTQR-UHFFFAOYSA-N
MW174.18 g/mol
LogP-1.19
Rot. Bonds1

About 1,1-dioxo-2H-1,4-thiazine-6-carboxamide

1,1-dioxo-2H-1,4-thiazine-6-carboxamide (PubChem CID 145271116) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is 1,1-dioxo-2H-1,4-thiazine-6-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-2H-1,4-thiazine-6-carboxamide
PubChem CID145271116
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Name1,1-dioxo-2H-1,4-thiazine-6-carboxamide
SMILESNC(=O)C1=CN=CCS1(=O)=O
InChIInChI=1S/C5H6N2O3S/c6-5(8)4-3-7-1-2-11(4,9)10/h1,3H,2H2,(H2,6,8)
InChIKeyZTSKEKPQLFMTQR-UHFFFAOYSA-N
XLogP-1.19
TPSA89.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2H-1,4-thiazine-6-carboxamide?
The IUPAC name of 1,1-dioxo-2H-1,4-thiazine-6-carboxamide (CID 145271116) is 1,1-dioxo-2H-1,4-thiazine-6-carboxamide.
What is the SMILES notation for 1,1-dioxo-2H-1,4-thiazine-6-carboxamide?
The canonical SMILES for 1,1-dioxo-2H-1,4-thiazine-6-carboxamide is NC(=O)C1=CN=CCS1(=O)=O.
What is the InChIKey of 1,1-dioxo-2H-1,4-thiazine-6-carboxamide?
The InChIKey is ZTSKEKPQLFMTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S/c6-5(8)4-3-7-1-2-11(4,9)10/h1,3H,2H2,(H2,6,8).
What are the key properties of 1,1-dioxo-2H-1,4-thiazine-6-carboxamide?
1,1-dioxo-2H-1,4-thiazine-6-carboxamide has a molecular weight of 174.18 g/mol, XLogP of -1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2H-1,4-thiazine-6-carboxamide is sourced from PubChem (CID 145271116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).