2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate

C20H30N2O6S — CID 55355273

IUPAC2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
SMILESCCOCCOC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C20H30N2O6S/c1-2-26-14-15-28-20(23)18-16-17(29(24,25)22-8-4-3-5-9-22)6-7-19(18)21-10-12-27-13-11-21/h6-7,16H,2-5,8-15H2,1H3
InChIKeyFIGCCHHDLTYEJH-UHFFFAOYSA-N
MW426.54 g/mol
LogP1.89
Rot. Bonds8

About 2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate

2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate (PubChem CID 55355273) has the molecular formula C20H30N2O6S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
PubChem CID55355273
Molecular FormulaC20H30N2O6S
Molecular Weight426.54 g/mol
Exact Mass426.18
IUPAC Name2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
SMILESCCOCCOC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C20H30N2O6S/c1-2-26-14-15-28-20(23)18-16-17(29(24,25)22-8-4-3-5-9-22)6-7-19(18)21-10-12-27-13-11-21/h6-7,16H,2-5,8-15H2,1H3
InChIKeyFIGCCHHDLTYEJH-UHFFFAOYSA-N
XLogP1.89
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 51.89
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

benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 24687259
(2,5-dimethylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 16543802
2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 2433198
N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55335115
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 4317954
cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 29201099
N-methyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 17478604
(3-carbamoylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 55640864
3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 55331545
[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate
CID 42983796
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 55325716
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 129375697

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of 2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate (CID 55355273) is 2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for 2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for 2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate is CCOCCOC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1.
What is the InChIKey of 2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The InChIKey is FIGCCHHDLTYEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O6S/c1-2-26-14-15-28-20(23)18-16-17(29(24,25)22-8-4-3-5-9-22)6-7-19(18)21-10-12-27-13-11-21/h6-7,16H,2-5,8-15H2,1H3.
What are the key properties of 2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate has a molecular weight of 426.54 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 55355273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).