(3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate

C17H23NO5S — CID 8020326

IUPAC(3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate
SMILESO=C(OCc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCCC1
InChIInChI=1S/C17H23NO5S/c19-17(15-5-1-2-6-15)23-13-14-4-3-7-16(12-14)24(20,21)18-8-10-22-11-9-18/h3-4,7,12,15H,1-2,5-6,8-11,13H2
InChIKeyGFYUGNQTIAVHOE-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.94
Rot. Bonds5

About (3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate

(3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate (PubChem CID 8020326) has the molecular formula C17H23NO5S and a molecular weight of 353.44 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate
PubChem CID8020326
Molecular FormulaC17H23NO5S
Molecular Weight353.44 g/mol
Exact Mass353.13
IUPAC Name(3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate
SMILESO=C(OCc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCCC1
InChIInChI=1S/C17H23NO5S/c19-17(15-5-1-2-6-15)23-13-14-4-3-7-16(12-14)24(20,21)18-8-10-22-11-9-18/h3-4,7,12,15H,1-2,5-6,8-11,13H2
InChIKeyGFYUGNQTIAVHOE-UHFFFAOYSA-N
XLogP1.94
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448
(3-morpholin-4-ylsulfonylphenyl)methyl 4-(dimethylamino)benzoate
CID 7668490
(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932936
(3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate
CID 7750422
2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide
CID 52506806
(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate
CID 7811749
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 3569637
(3-morpholin-4-ylsulfonylphenyl)methyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate
CID 46825462
(3-morpholin-4-ylsulfonylphenyl)methyl 2-chloro-4-fluorobenzoate
CID 7826009
(3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate
CID 8533259
(3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate
CID 7783364
(3-morpholin-4-ylsulfonylphenyl)methyl 3,5-diacetamidobenzoate
CID 29358656

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate?
The IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate (CID 8020326) is (3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate.
What is the SMILES notation for (3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate?
The canonical SMILES for (3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate is O=C(OCc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCCC1.
What is the InChIKey of (3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate?
The InChIKey is GFYUGNQTIAVHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5S/c19-17(15-5-1-2-6-15)23-13-14-4-3-7-16(12-14)24(20,21)18-8-10-22-11-9-18/h3-4,7,12,15H,1-2,5-6,8-11,13H2.
What are the key properties of (3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate?
(3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate has a molecular weight of 353.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate is sourced from PubChem (CID 8020326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).