[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate

C19H23NO6S — CID 7932691

IUPAC[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
SMILESO=C(COC(=O)[C@H]1CC=CCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H23NO6S/c21-18(14-26-19(22)16-4-2-1-3-5-16)15-6-8-17(9-7-15)27(23,24)20-10-12-25-13-11-20/h1-2,6-9,16H,3-5,10-14H2/t16-/m0/s1
InChIKeyWQHGJFGSFVMTTK-INIZCTEOSA-N
MW393.46 g/mol
LogP1.79
Rot. Bonds6

About [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate

[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate (PubChem CID 7932691) has the molecular formula C19H23NO6S and a molecular weight of 393.46 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
PubChem CID7932691
Molecular FormulaC19H23NO6S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC Name[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
SMILESO=C(COC(=O)[C@H]1CC=CCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H23NO6S/c21-18(14-26-19(22)16-4-2-1-3-5-16)15-6-8-17(9-7-15)27(23,24)20-10-12-25-13-11-20/h1-2,6-9,16H,3-5,10-14H2/t16-/m0/s1
InChIKeyWQHGJFGSFVMTTK-INIZCTEOSA-N
XLogP1.79
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate
CID 7868503
[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 8566669
[2-(4-fluorophenyl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2352525
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] pyridine-4-carboxylate
CID 7783940
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 1-ethylsulfonylpiperidine-4-carboxylate
CID 55404012
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717653
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 8631773
1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine
CID 41236223
[2-(4-ethylphenyl)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 41150938
methyl 3-(4-morpholin-4-ylsulfonylphenyl)-3-oxopropanoate
CID 118538510
[2-(4-chlorophenyl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 3508397
(1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 8746747

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate (CID 7932691) is [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate is O=C(COC(=O)[C@H]1CC=CCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate?
The InChIKey is WQHGJFGSFVMTTK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23NO6S/c21-18(14-26-19(22)16-4-2-1-3-5-16)15-6-8-17(9-7-15)27(23,24)20-10-12-25-13-11-20/h1-2,6-9,16H,3-5,10-14H2/t16-/m0/s1.
What are the key properties of [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate?
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate has a molecular weight of 393.46 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 7932691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).