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

C10H16N2O5S3 — CID 15814288

IUPAC(4S)-N-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)NC[C@H]2O
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/t7-/m1/s1
InChIKeyCXAOXMQOSLKACY-SSDOTTSWSA-N
MW340.45 g/mol
LogP0.15
Rot. Bonds2

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

(4S)-N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide (PubChem CID 15814288) has the molecular formula C10H16N2O5S3 and a molecular weight of 340.45 g/mol. Its IUPAC name is (4S)-N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide.

Molecular Properties

Compound Name(4S)-N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide
PubChem CID15814288
Molecular FormulaC10H16N2O5S3
Molecular Weight340.45 g/mol
Exact Mass340.02
IUPAC Name(4S)-N-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)NC[C@H]2O
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/t7-/m1/s1
InChIKeyCXAOXMQOSLKACY-SSDOTTSWSA-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

Analyze (4S)-N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide with MolForge

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Related Compounds

(4S)-6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno(3,2-e)thiazin-4-ol
CID 11746721
4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno(3,2-E)(1,2)thiazine-6-sulfonamide 1,1-dioxide, (S)-
CID 15225314
4-Hydroxy-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine 1,1-dioxide
CID 22901942
(4S)-3,4-Dihydro-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazin-4-ol 1,1-Dioxide
CID 25098537
2H-Thieno(3,2-e)-1,2-thiazin-4-ol, 3,4-dihydro-, 1,1-dioxide, (4S)-
CID 59144197
6-Chloro-4-hydroxy-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine 1,1-dioxide
CID 11010059
2-(3-Fluoropropyl)-3,4-dihydro-4-hydroxy-N-(1,1-dimethylethyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide
CID 22901955
N-tert-butyl-2-(3-fluoropropyl)-4-hydroxy-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
CID 57026090
(4S)-4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
CID 11057001
(4S)-1,1-dioxide-3,4-dihydro-4-hydroxy-2-
CID 15225315
3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
CID 17875050
4-Hydroxy-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
CID 19003522

Frequently Asked Questions

What is the IUPAC name of (4S)-N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide?
The IUPAC name of (4S)-N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide (CID 15814288) is (4S)-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 (4S)-N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide?
The canonical SMILES for (4S)-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)NC[C@H]2O.
What is the InChIKey of (4S)-N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide?
The InChIKey is CXAOXMQOSLKACY-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of (4S)-N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide?
(4S)-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 (4S)-N-tert-butyl-4-hydroxy-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazine-6-sulfonamide is sourced from PubChem (CID 15814288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).