2-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-1-sulfidoazirine

C15H20NO4S- — CID 168975952

IUPAC2-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-1-sulfidoazirine
SMILESCOc1cccc(COCCOCCOCC2=CN2[S-])c1
InChIInChI=1S/C15H20NO4S/c1-17-15-4-2-3-13(9-15)11-19-7-5-18-6-8-20-12-14-10-16(14)21/h2-4,9-10H,5-8,11-12H2,1H3/q-1
InChIKeyLYHZXDYDBTWMNC-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.86
Rot. Bonds11

About 2-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-1-sulfidoazirine

2-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-1-sulfidoazirine (PubChem CID 168975952) has the molecular formula C15H20NO4S- and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-1-sulfidoazirine.

Molecular Properties

Compound Name2-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-1-sulfidoazirine
PubChem CID168975952
Molecular FormulaC15H20NO4S-
Molecular Weight310.39 g/mol
Exact Mass310.11
IUPAC Name2-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-1-sulfidoazirine
SMILESCOc1cccc(COCCOCCOCC2=CN2[S-])c1
InChIInChI=1S/C15H20NO4S/c1-17-15-4-2-3-13(9-15)11-19-7-5-18-6-8-20-12-14-10-16(14)21/h2-4,9-10H,5-8,11-12H2,1H3/q-1
InChIKeyLYHZXDYDBTWMNC-UHFFFAOYSA-N
XLogP1.86
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

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CID 71757143
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N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N-methylpropan-2-amine
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CID 88878889
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6-[(3-methoxyphenyl)methoxy]hexan-3-one
CID 106801987
N'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide
CID 24695934
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline
CID 62565551
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
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CID 167466346

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-1-sulfidoazirine?
The IUPAC name of 2-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-1-sulfidoazirine (CID 168975952) is 2-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-1-sulfidoazirine.
What is the SMILES notation for 2-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-1-sulfidoazirine?
The canonical SMILES for 2-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-1-sulfidoazirine is COc1cccc(COCCOCCOCC2=CN2[S-])c1.
What is the InChIKey of 2-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-1-sulfidoazirine?
The InChIKey is LYHZXDYDBTWMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20NO4S/c1-17-15-4-2-3-13(9-15)11-19-7-5-18-6-8-20-12-14-10-16(14)21/h2-4,9-10H,5-8,11-12H2,1H3/q-1.
What are the key properties of 2-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-1-sulfidoazirine?
2-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-1-sulfidoazirine has a molecular weight of 310.39 g/mol, XLogP of 1.86, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-1-sulfidoazirine is sourced from PubChem (CID 168975952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).