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

C10H14ClNO4S2 — CID 11109721

IUPAC6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESCOCCCN1CC(O)c2cc(Cl)sc2S1(=O)=O
InChIInChI=1S/C10H14ClNO4S2/c1-16-4-2-3-12-6-8(13)7-5-9(11)17-10(7)18(12,14)15/h5,8,13H,2-4,6H2,1H3
InChIKeyFMNGDEKOOMHKNT-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.48
Rot. Bonds4

About 6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol

6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol (PubChem CID 11109721) has the molecular formula C10H14ClNO4S2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol.

Molecular Properties

Compound Name6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
PubChem CID11109721
Molecular FormulaC10H14ClNO4S2
Molecular Weight311.81 g/mol
Exact Mass311.01
IUPAC Name6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESCOCCCN1CC(O)c2cc(Cl)sc2S1(=O)=O
InChIInChI=1S/C10H14ClNO4S2/c1-16-4-2-3-12-6-8(13)7-5-9(11)17-10(7)18(12,14)15/h5,8,13H,2-4,6H2,1H3
InChIKeyFMNGDEKOOMHKNT-UHFFFAOYSA-N
XLogP1.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol with MolForge

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Related Compounds

(4S)-6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno(3,2-e)thiazin-4-ol
CID 9926764
(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
(4S)-3,4-Dihydro-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazin-4-ol 1,1-Dioxide
CID 25098537
6-Chloro-4-hydroxy-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine 1,1-dioxide
CID 11010059
(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
(4S)-6-Chloro-4-hydroxy-2-(2-methoxyethyl)-3,4-dihydro-1lambda~6~-thieno[3,2-e][1,2]thiazine-1,1(2H)-dione
CID 15294529
(S)-3,4-dihydro-6-chloro-4-hydroxy-2-(4-methoxybutyl)-2H-thieno[3,2-e]-1,2-thiazine-1,1-dioxide
CID 18654596
4-Hydroxy-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
CID 19003522
4-Hydroxy-2-(3-methylsulfanylpropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
CID 19035802
6-Chloro-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol
CID 19370783

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The IUPAC name of 6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol (CID 11109721) is 6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol.
What is the SMILES notation for 6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The canonical SMILES for 6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol is COCCCN1CC(O)c2cc(Cl)sc2S1(=O)=O.
What is the InChIKey of 6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The InChIKey is FMNGDEKOOMHKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S2/c1-16-4-2-3-12-6-8(13)7-5-9(11)17-10(7)18(12,14)15/h5,8,13H,2-4,6H2,1H3.
What are the key properties of 6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol has a molecular weight of 311.81 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol is sourced from PubChem (CID 11109721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).