(4Z,9E)-2-methoxy-4-methyl-1-oxo-1λ4-thia-2-azacyclotetradeca-4,9-dien-8-ol

C14H25NO3S — CID 144515561

IUPAC(4Z,9E)-2-methoxy-4-methyl-1-oxo-1λ4-thia-2-azacyclotetradeca-4,9-dien-8-ol
SMILESCON1C/C(C)=C\CCC(O)/C=C/CCCCS1=O
InChIInChI=1S/C14H25NO3S/c1-13-8-7-10-14(16)9-5-3-4-6-11-19(17)15(12-13)18-2/h5,8-9,14,16H,3-4,6-7,10-12H2,1-2H3/b9-5+,13-8-
InChIKeyGNWGCZYMLDWTIT-VONIIWBQSA-N
MW287.43 g/mol
LogP2.34
Rot. Bonds1

About (4Z,9E)-2-methoxy-4-methyl-1-oxo-1λ4-thia-2-azacyclotetradeca-4,9-dien-8-ol

(4Z,9E)-2-methoxy-4-methyl-1-oxo-1λ4-thia-2-azacyclotetradeca-4,9-dien-8-ol (PubChem CID 144515561) has the molecular formula C14H25NO3S and a molecular weight of 287.43 g/mol. Its IUPAC name is (4Z,9E)-2-methoxy-4-methyl-1-oxo-1λ4-thia-2-azacyclotetradeca-4,9-dien-8-ol.

Molecular Properties

Compound Name(4Z,9E)-2-methoxy-4-methyl-1-oxo-1λ4-thia-2-azacyclotetradeca-4,9-dien-8-ol
PubChem CID144515561
Molecular FormulaC14H25NO3S
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name(4Z,9E)-2-methoxy-4-methyl-1-oxo-1λ4-thia-2-azacyclotetradeca-4,9-dien-8-ol
SMILESCON1C/C(C)=C\CCC(O)/C=C/CCCCS1=O
InChIInChI=1S/C14H25NO3S/c1-13-8-7-10-14(16)9-5-3-4-6-11-19(17)15(12-13)18-2/h5,8-9,14,16H,3-4,6-7,10-12H2,1-2H3/b9-5+,13-8-
InChIKeyGNWGCZYMLDWTIT-VONIIWBQSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,9E)-2-methoxy-4-methyl-1-oxo-1λ4-thia-2-azacyclotetradeca-4,9-dien-8-ol?
The IUPAC name of (4Z,9E)-2-methoxy-4-methyl-1-oxo-1λ4-thia-2-azacyclotetradeca-4,9-dien-8-ol (CID 144515561) is (4Z,9E)-2-methoxy-4-methyl-1-oxo-1λ4-thia-2-azacyclotetradeca-4,9-dien-8-ol.
What is the SMILES notation for (4Z,9E)-2-methoxy-4-methyl-1-oxo-1λ4-thia-2-azacyclotetradeca-4,9-dien-8-ol?
The canonical SMILES for (4Z,9E)-2-methoxy-4-methyl-1-oxo-1λ4-thia-2-azacyclotetradeca-4,9-dien-8-ol is CON1C/C(C)=C\CCC(O)/C=C/CCCCS1=O.
What is the InChIKey of (4Z,9E)-2-methoxy-4-methyl-1-oxo-1λ4-thia-2-azacyclotetradeca-4,9-dien-8-ol?
The InChIKey is GNWGCZYMLDWTIT-VONIIWBQSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-13-8-7-10-14(16)9-5-3-4-6-11-19(17)15(12-13)18-2/h5,8-9,14,16H,3-4,6-7,10-12H2,1-2H3/b9-5+,13-8-.
What are the key properties of (4Z,9E)-2-methoxy-4-methyl-1-oxo-1λ4-thia-2-azacyclotetradeca-4,9-dien-8-ol?
(4Z,9E)-2-methoxy-4-methyl-1-oxo-1λ4-thia-2-azacyclotetradeca-4,9-dien-8-ol has a molecular weight of 287.43 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,9E)-2-methoxy-4-methyl-1-oxo-1λ4-thia-2-azacyclotetradeca-4,9-dien-8-ol is sourced from PubChem (CID 144515561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).