N-ethyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide

C10H12N2O4S2 — CID 54696630

IUPACN-ethyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
SMILESCCNC(=O)C1=C(O)c2sccc2N(C)S1(=O)=O
InChIInChI=1S/C10H12N2O4S2/c1-3-11-10(14)9-7(13)8-6(4-5-17-8)12(2)18(9,15)16/h4-5,13H,3H2,1-2H3,(H,11,14)
InChIKeyUNCUYPNUFXULNQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.89
Rot. Bonds2

About N-ethyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide

N-ethyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide (PubChem CID 54696630) has the molecular formula C10H12N2O4S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-ethyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
PubChem CID54696630
Molecular FormulaC10H12N2O4S2
Molecular Weight288.35 g/mol
Exact Mass288.02
IUPAC NameN-ethyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
SMILESCCNC(=O)C1=C(O)c2sccc2N(C)S1(=O)=O
InChIInChI=1S/C10H12N2O4S2/c1-3-11-10(14)9-7(13)8-6(4-5-17-8)12(2)18(9,15)16/h4-5,13H,3H2,1-2H3,(H,11,14)
InChIKeyUNCUYPNUFXULNQ-UHFFFAOYSA-N
XLogP0.89
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Thieno(3,2-b)pyridine-5,7-diol
CID 54679747
4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-1,2-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-3-carboxamide
CID 54682080
N-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxo-1,2-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-3-carboxamide
CID 54687555
N-benzyl-4-hydroxy-1-methyl-2,2-dioxo-1H-2lambda6-thieno[3,2-c][1,2]thiazine-3-carboxamide
CID 54687603
N-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 54729680
2-[(7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid
CID 54741195
7-Hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 68029332
7-hydroxy-4-methyl-5-oxo-N-(2-oxoethyl)thieno[3,2-b]pyridine-6-carboxamide
CID 89227037
7-hydroxy-6-(pentan-3-ylamino)-4H-thieno[3,2-b]pyridin-5-one
CID 90948537
7-Hydroxy-4-methylthieno[3,2-b]pyridin-5(4H)-one
CID 135366958
4-Ethyl-7-hydroxythieno[3,2-b]pyridin-5-one
CID 139651687
7-Hydroxy-5-oxo-N-pentyl-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734345

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The IUPAC name of N-ethyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide (CID 54696630) is N-ethyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide.
What is the SMILES notation for N-ethyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The canonical SMILES for N-ethyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide is CCNC(=O)C1=C(O)c2sccc2N(C)S1(=O)=O.
What is the InChIKey of N-ethyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The InChIKey is UNCUYPNUFXULNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S2/c1-3-11-10(14)9-7(13)8-6(4-5-17-8)12(2)18(9,15)16/h4-5,13H,3H2,1-2H3,(H,11,14).
What are the key properties of N-ethyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
N-ethyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide is sourced from PubChem (CID 54696630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).