N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide

C10H16N2O5S3 — CID 22901902

IUPACN-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc2c(s1)S(=O)(=O)NCC2O
InChIInChI=1S/C10H16N2O5S3/c1-10(2,3)12-19(14,15)8-4-6-7(13)5-11-20(16,17)9(6)18-8/h4,7,11-13H,5H2,1-3H3
InChIKeyCXAOXMQOSLKACY-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.15
Rot. Bonds2

About N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide

N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide (PubChem CID 22901902) has the molecular formula C10H16N2O5S3 and a molecular weight of 340.45 g/mol. Its IUPAC name is N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide
PubChem CID22901902
Molecular FormulaC10H16N2O5S3
Molecular Weight340.45 g/mol
Exact Mass340.02
IUPAC NameN-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc2c(s1)S(=O)(=O)NCC2O
InChIInChI=1S/C10H16N2O5S3/c1-10(2,3)12-19(14,15)8-4-6-7(13)5-11-20(16,17)9(6)18-8/h4,7,11-13H,5H2,1-3H3
InChIKeyCXAOXMQOSLKACY-UHFFFAOYSA-N
XLogP0.15
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide?
The IUPAC name of N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide (CID 22901902) is N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide.
What is the SMILES notation for N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide?
The canonical SMILES for N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide is CC(C)(C)NS(=O)(=O)c1cc2c(s1)S(=O)(=O)NCC2O.
What is the InChIKey of N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide?
The InChIKey is CXAOXMQOSLKACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S3/c1-10(2,3)12-19(14,15)8-4-6-7(13)5-11-20(16,17)9(6)18-8/h4,7,11-13H,5H2,1-3H3.
What are the key properties of N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide?
N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide is sourced from PubChem (CID 22901902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).