(4S)-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol

C6H7NOS2 — CID 70114516

IUPAC(4S)-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
SMILESO[C@@H]1CNSc2sccc21
InChIInChI=1S/C6H7NOS2/c8-5-3-7-10-6-4(5)1-2-9-6/h1-2,5,7-8H,3H2/t5-/m1/s1
InChIKeyGTLJRLVSTJTYOC-RXMQYKEDSA-N
MW173.26 g/mol
LogP1.39
Rot. Bonds

About (4S)-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol

(4S)-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol (PubChem CID 70114516) has the molecular formula C6H7NOS2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (4S)-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol.

Molecular Properties

Compound Name(4S)-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
PubChem CID70114516
Molecular FormulaC6H7NOS2
Molecular Weight173.26 g/mol
Exact Mass173.00
IUPAC Name(4S)-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
SMILESO[C@@H]1CNSc2sccc21
InChIInChI=1S/C6H7NOS2/c8-5-3-7-10-6-4(5)1-2-9-6/h1-2,5,7-8H,3H2/t5-/m1/s1
InChIKeyGTLJRLVSTJTYOC-RXMQYKEDSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Amino-1-(thiophen-3-yl)ethan-1-ol
CID 16768049
4-Hydroxy-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine 1,1-dioxide
CID 22901942
2H-Thieno(3,2-e)-1,2-thiazin-4-ol, 3,4-dihydro-, 1,1-dioxide, (4S)-
CID 59144197
(S)-N-(1,1-dimethylethyl)-3,4-dihydro-4-hydroxy-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide
CID 15814288
3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
CID 17875050
6-chloro-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
CID 19370789
2-Methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
CID 19737958
2-(3-Hydroxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol
CID 19737983
3,4-Dihydro-4-hydroxy-N-(1,1-dimethylethyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide
CID 22901902
2-(3-Bromopropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol
CID 22901966
3,4-dihydro-4(R)-hydroxy-2H-thieno[3,2-e]-1,2-thiazine-1,1dioxide
CID 24997612
3-[1-Hydroxy-2-(sulfamoylamino)ethyl]thiophene
CID 53354316

Frequently Asked Questions

What is the IUPAC name of (4S)-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
The IUPAC name of (4S)-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol (CID 70114516) is (4S)-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol.
What is the SMILES notation for (4S)-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
The canonical SMILES for (4S)-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol is O[C@@H]1CNSc2sccc21.
What is the InChIKey of (4S)-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
The InChIKey is GTLJRLVSTJTYOC-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H7NOS2/c8-5-3-7-10-6-4(5)1-2-9-6/h1-2,5,7-8H,3H2/t5-/m1/s1.
What are the key properties of (4S)-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
(4S)-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol has a molecular weight of 173.26 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol is sourced from PubChem (CID 70114516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).