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

C15H14N2O4S2 — CID 54687603

IUPACN-benzyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
SMILESCN1c2ccsc2C(O)=C(C(=O)NCc2ccccc2)S1(=O)=O
InChIInChI=1S/C15H14N2O4S2/c1-17-11-7-8-22-13(11)12(18)14(23(17,20)21)15(19)16-9-10-5-3-2-4-6-10/h2-8,18H,9H2,1H3,(H,16,19)
InChIKeyUIIMUDPGQZSSLN-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.07
Rot. Bonds3

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

N-benzyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide (PubChem CID 54687603) has the molecular formula C15H14N2O4S2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-benzyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
PubChem CID54687603
Molecular FormulaC15H14N2O4S2
Molecular Weight350.42 g/mol
Exact Mass350.04
IUPAC NameN-benzyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
SMILESCN1c2ccsc2C(O)=C(C(=O)NCc2ccccc2)S1(=O)=O
InChIInChI=1S/C15H14N2O4S2/c1-17-11-7-8-22-13(11)12(18)14(23(17,20)21)15(19)16-9-10-5-3-2-4-6-10/h2-8,18H,9H2,1H3,(H,16,19)
InChIKeyUIIMUDPGQZSSLN-UHFFFAOYSA-N
XLogP2.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The IUPAC name of N-benzyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide (CID 54687603) is N-benzyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide.
What is the SMILES notation for N-benzyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The canonical SMILES for N-benzyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide is CN1c2ccsc2C(O)=C(C(=O)NCc2ccccc2)S1(=O)=O.
What is the InChIKey of N-benzyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The InChIKey is UIIMUDPGQZSSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S2/c1-17-11-7-8-22-13(11)12(18)14(23(17,20)21)15(19)16-9-10-5-3-2-4-6-10/h2-8,18H,9H2,1H3,(H,16,19).
What are the key properties of N-benzyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
N-benzyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide is sourced from PubChem (CID 54687603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).