2-(3-hydroxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol

C9H13NO2S2 — CID 19737983

IUPAC2-(3-hydroxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESOCCCN1CC(O)c2ccsc2S1
InChIInChI=1S/C9H13NO2S2/c11-4-1-3-10-6-8(12)7-2-5-13-9(7)14-10/h2,5,8,11-12H,1,3-4,6H2
InChIKeyNQHWEHTZJYAZJG-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.49
Rot. Bonds3

About 2-(3-hydroxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol

2-(3-hydroxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol (PubChem CID 19737983) has the molecular formula C9H13NO2S2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol
PubChem CID19737983
Molecular FormulaC9H13NO2S2
Molecular Weight231.34 g/mol
Exact Mass231.04
IUPAC Name2-(3-hydroxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESOCCCN1CC(O)c2ccsc2S1
InChIInChI=1S/C9H13NO2S2/c11-4-1-3-10-6-8(12)7-2-5-13-9(7)14-10/h2,5,8,11-12H,1,3-4,6H2
InChIKeyNQHWEHTZJYAZJG-UHFFFAOYSA-N
XLogP1.49
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The IUPAC name of 2-(3-hydroxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol (CID 19737983) is 2-(3-hydroxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol.
What is the SMILES notation for 2-(3-hydroxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The canonical SMILES for 2-(3-hydroxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol is OCCCN1CC(O)c2ccsc2S1.
What is the InChIKey of 2-(3-hydroxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The InChIKey is NQHWEHTZJYAZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S2/c11-4-1-3-10-6-8(12)7-2-5-13-9(7)14-10/h2,5,8,11-12H,1,3-4,6H2.
What are the key properties of 2-(3-hydroxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
2-(3-hydroxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol has a molecular weight of 231.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol is sourced from PubChem (CID 19737983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).