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

C16H21N2O5S- — CID 2433198

IUPAC2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
SMILESO=C([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C16H22N2O5S/c19-16(20)14-12-13(24(21,22)18-6-2-1-3-7-18)4-5-15(14)17-8-10-23-11-9-17/h4-5,12H,1-3,6-11H2,(H,19,20)/p-1
InChIKeyJJVKRATVEXYRKZ-UHFFFAOYSA-M
MW353.42 g/mol
LogP0.06
Rot. Bonds4

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

2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate (PubChem CID 2433198) has the molecular formula C16H21N2O5S- and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
PubChem CID2433198
Molecular FormulaC16H21N2O5S-
Molecular Weight353.42 g/mol
Exact Mass353.12
IUPAC Name2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
SMILESO=C([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C16H22N2O5S/c19-16(20)14-12-13(24(21,22)18-6-2-1-3-7-18)4-5-15(14)17-8-10-23-11-9-17/h4-5,12H,1-3,6-11H2,(H,19,20)/p-1
InChIKeyJJVKRATVEXYRKZ-UHFFFAOYSA-M
XLogP0.06
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 17478604
N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55335115
N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 2640923
benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 24687259
2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 55355273
N-(4-methylsulfanylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 42369200
N-(3,4-dimethylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 4815665
azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 112759512
N-cyclohexyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4825496
1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone
CID 55346848
phenyl 5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzoate
CID 8765391
(2,5-dimethylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 16543802

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate (CID 2433198) is 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate is O=C([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The InChIKey is JJVKRATVEXYRKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H22N2O5S/c19-16(20)14-12-13(24(21,22)18-6-2-1-3-7-18)4-5-15(14)17-8-10-23-11-9-17/h4-5,12H,1-3,6-11H2,(H,19,20)/p-1.
What are the key properties of 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate has a molecular weight of 353.42 g/mol, XLogP of 0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 2433198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).