(4S)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol

C10H15NO4S2 — CID 25098537

IUPAC(4S)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESCOCCCN1C[C@@H](O)c2ccsc2S1(=O)=O
InChIInChI=1S/C10H15NO4S2/c1-15-5-2-4-11-7-9(12)8-3-6-16-10(8)17(11,13)14/h3,6,9,12H,2,4-5,7H2,1H3/t9-/m1/s1
InChIKeyXXDPMCCGFXTPIS-SECBINFHSA-N
MW277.37 g/mol
LogP0.82
Rot. Bonds4

About (4S)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol

(4S)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol (PubChem CID 25098537) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (4S)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol.

Molecular Properties

Compound Name(4S)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
PubChem CID25098537
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name(4S)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESCOCCCN1C[C@@H](O)c2ccsc2S1(=O)=O
InChIInChI=1S/C10H15NO4S2/c1-15-5-2-4-11-7-9(12)8-3-6-16-10(8)17(11,13)14/h3,6,9,12H,2,4-5,7H2,1H3/t9-/m1/s1
InChIKeyXXDPMCCGFXTPIS-SECBINFHSA-N
XLogP0.82
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4S)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol with MolForge

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Related Compounds

AL5300
CID 4369103
4-hydroxy-1,1-dioxo-2-(thiophen-2-ylmethyl)-2H,3H,4H-1$l^{6},7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamide
CID 1611
(4S)-6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno(3,2-e)thiazin-4-ol
CID 9926764
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
2H-Thieno(3,2-e)-1,2-thiazin-4-ol, 3,4-dihydro-, 1,1-dioxide, (4S)-
CID 59144197
2-(3-bromopropyl)-4-hydroxy-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine 1,1-dioxide
CID 59144205
4-(1-ethoxyethoxy)-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine 1,1-dioxide
CID 59144209
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)-2-(3-bromopropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
CID 135056232
(4S)-4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
CID 11057001

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The IUPAC name of (4S)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol (CID 25098537) is (4S)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol.
What is the SMILES notation for (4S)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The canonical SMILES for (4S)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol is COCCCN1C[C@@H](O)c2ccsc2S1(=O)=O.
What is the InChIKey of (4S)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The InChIKey is XXDPMCCGFXTPIS-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-15-5-2-4-11-7-9(12)8-3-6-16-10(8)17(11,13)14/h3,6,9,12H,2,4-5,7H2,1H3/t9-/m1/s1.
What are the key properties of (4S)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
(4S)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol has a molecular weight of 277.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol is sourced from PubChem (CID 25098537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).