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

C10H14ClNO2S2 — CID 19370783

IUPAC6-chloro-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESCOCCCN1CC(O)c2cc(Cl)sc2S1
InChIInChI=1S/C10H14ClNO2S2/c1-14-4-2-3-12-6-8(13)7-5-9(11)15-10(7)16-12/h5,8,13H,2-4,6H2,1H3
InChIKeyOPXWDJCHNLNRQP-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.79
Rot. Bonds4

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

6-chloro-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol (PubChem CID 19370783) has the molecular formula C10H14ClNO2S2 and a molecular weight of 279.81 g/mol. Its IUPAC name is 6-chloro-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol.

Molecular Properties

Compound Name6-chloro-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol
PubChem CID19370783
Molecular FormulaC10H14ClNO2S2
Molecular Weight279.81 g/mol
Exact Mass279.02
IUPAC Name6-chloro-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESCOCCCN1CC(O)c2cc(Cl)sc2S1
InChIInChI=1S/C10H14ClNO2S2/c1-14-4-2-3-12-6-8(13)7-5-9(11)15-10(7)16-12/h5,8,13H,2-4,6H2,1H3
InChIKeyOPXWDJCHNLNRQP-UHFFFAOYSA-N
XLogP2.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The IUPAC name of 6-chloro-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol (CID 19370783) is 6-chloro-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol.
What is the SMILES notation for 6-chloro-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The canonical SMILES for 6-chloro-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol is COCCCN1CC(O)c2cc(Cl)sc2S1.
What is the InChIKey of 6-chloro-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The InChIKey is OPXWDJCHNLNRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S2/c1-14-4-2-3-12-6-8(13)7-5-9(11)15-10(7)16-12/h5,8,13H,2-4,6H2,1H3.
What are the key properties of 6-chloro-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
6-chloro-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-4-ol has a molecular weight of 279.81 g/mol, XLogP of 2.79, 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)-3,4-dihydrothieno[3,2-e]thiazin-4-ol is sourced from PubChem (CID 19370783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).