2-(2-methoxyethoxy)ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate

C16H23NO6S — CID 58283308

IUPAC2-(2-methoxyethoxy)ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate
SMILESCOCCOCCOC(=O)c1ccc(N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C16H23NO6S/c1-21-8-9-22-10-11-23-16(18)14-2-4-15(5-3-14)17-6-12-24(19,20)13-7-17/h2-5H,6-13H2,1H3
InChIKeyFXYPXEDKTWKRFS-UHFFFAOYSA-N
MW357.43 g/mol
LogP0.74
Rot. Bonds8

About 2-(2-methoxyethoxy)ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate

2-(2-methoxyethoxy)ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate (PubChem CID 58283308) has the molecular formula C16H23NO6S and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate
PubChem CID58283308
Molecular FormulaC16H23NO6S
Molecular Weight357.43 g/mol
Exact Mass357.12
IUPAC Name2-(2-methoxyethoxy)ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate
SMILESCOCCOCCOC(=O)c1ccc(N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C16H23NO6S/c1-21-8-9-22-10-11-23-16(18)14-2-4-15(5-3-14)17-6-12-24(19,20)13-7-17/h2-5H,6-13H2,1H3
InChIKeyFXYPXEDKTWKRFS-UHFFFAOYSA-N
XLogP0.74
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497
2-(2-methoxyethoxy)ethyl 4-(methylperoxymethyl)benzoate
CID 59927733
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
methyl 4-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate
CID 82784985
2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate
CID 143968517
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
2-[2-[2-[2-(4-acetylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 4-acetylbenzoate
CID 157029099
1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine
CID 69086607
ethyl 4-[4,8,11-tris(4-ethoxycarbonylphenyl)-1,4,8,11-tetrazacyclotetradec-1-yl]benzoate
CID 134540950
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide
CID 159309501
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[4-(methylamino)benzoyl]benzoate
CID 58616778
2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate
CID 103178437

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate (CID 58283308) is 2-(2-methoxyethoxy)ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate is COCCOCCOC(=O)c1ccc(N2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate?
The InChIKey is FXYPXEDKTWKRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6S/c1-21-8-9-22-10-11-23-16(18)14-2-4-15(5-3-14)17-6-12-24(19,20)13-7-17/h2-5H,6-13H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate?
2-(2-methoxyethoxy)ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate has a molecular weight of 357.43 g/mol, XLogP of 0.74, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate is sourced from PubChem (CID 58283308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).