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

C10H14ClNO3S2 — CID 143676815

IUPAC(4S)-6-chloro-2-(3-methoxypropyl)-1-oxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESCOCCCN1C[C@@H](O)c2cc(Cl)sc2S1=O
InChIInChI=1S/C10H14ClNO3S2/c1-15-4-2-3-12-6-8(13)7-5-9(11)16-10(7)17(12)14/h5,8,13H,2-4,6H2,1H3/t8-,17?/m1/s1
InChIKeyDSTMGECBAATIFP-OEWHWVHBSA-N
MW295.81 g/mol
LogP1.81
Rot. Bonds4

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

(4S)-6-chloro-2-(3-methoxypropyl)-1-oxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol (PubChem CID 143676815) has the molecular formula C10H14ClNO3S2 and a molecular weight of 295.81 g/mol. Its IUPAC name is (4S)-6-chloro-2-(3-methoxypropyl)-1-oxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol.

Molecular Properties

Compound Name(4S)-6-chloro-2-(3-methoxypropyl)-1-oxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
PubChem CID143676815
Molecular FormulaC10H14ClNO3S2
Molecular Weight295.81 g/mol
Exact Mass295.01
IUPAC Name(4S)-6-chloro-2-(3-methoxypropyl)-1-oxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESCOCCCN1C[C@@H](O)c2cc(Cl)sc2S1=O
InChIInChI=1S/C10H14ClNO3S2/c1-15-4-2-3-12-6-8(13)7-5-9(11)16-10(7)17(12)14/h5,8,13H,2-4,6H2,1H3/t8-,17?/m1/s1
InChIKeyDSTMGECBAATIFP-OEWHWVHBSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-2-(3-methoxypropyl)-1-oxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The IUPAC name of (4S)-6-chloro-2-(3-methoxypropyl)-1-oxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol (CID 143676815) is (4S)-6-chloro-2-(3-methoxypropyl)-1-oxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol.
What is the SMILES notation for (4S)-6-chloro-2-(3-methoxypropyl)-1-oxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The canonical SMILES for (4S)-6-chloro-2-(3-methoxypropyl)-1-oxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol is COCCCN1C[C@@H](O)c2cc(Cl)sc2S1=O.
What is the InChIKey of (4S)-6-chloro-2-(3-methoxypropyl)-1-oxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The InChIKey is DSTMGECBAATIFP-OEWHWVHBSA-N. The full InChI is InChI=1S/C10H14ClNO3S2/c1-15-4-2-3-12-6-8(13)7-5-9(11)16-10(7)17(12)14/h5,8,13H,2-4,6H2,1H3/t8-,17?/m1/s1.
What are the key properties of (4S)-6-chloro-2-(3-methoxypropyl)-1-oxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
(4S)-6-chloro-2-(3-methoxypropyl)-1-oxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol has a molecular weight of 295.81 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-2-(3-methoxypropyl)-1-oxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol is sourced from PubChem (CID 143676815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).