N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)-3-pyridinyl]cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide

C22H33N3O5S — CID 164553270

IUPACN-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)-3-pyridinyl]cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide
SMILESO=CCOc1ncccc1C1CCC(OC[C@@H]2NCCC[C@@H]2NS(=O)(=O)C2CC2)CC1
InChIInChI=1S/C22H33N3O5S/c26-13-14-29-22-19(3-1-12-24-22)16-5-7-17(8-6-16)30-15-21-20(4-2-11-23-21)25-31(27,28)18-9-10-18/h1,3,12-13,16-18,20-21,23,25H,2,4-11,14-15H2/t16?,17?,20-,21-/m0/s1
InChIKeyFRUYTZGOWCWRJX-QGWLNKKWSA-N
MW451.59 g/mol
LogP1.90
Rot. Bonds10

About N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)-3-pyridinyl]cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide

N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)-3-pyridinyl]cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide (PubChem CID 164553270) has the molecular formula C22H33N3O5S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)-3-pyridinyl]cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)-3-pyridinyl]cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide
PubChem CID164553270
Molecular FormulaC22H33N3O5S
Molecular Weight451.59 g/mol
Exact Mass451.21
IUPAC NameN-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)-3-pyridinyl]cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide
SMILESO=CCOc1ncccc1C1CCC(OC[C@@H]2NCCC[C@@H]2NS(=O)(=O)C2CC2)CC1
InChIInChI=1S/C22H33N3O5S/c26-13-14-29-22-19(3-1-12-24-22)16-5-7-17(8-6-16)30-15-21-20(4-2-11-23-21)25-31(27,28)18-9-10-18/h1,3,12-13,16-18,20-21,23,25H,2,4-11,14-15H2/t16?,17?,20-,21-/m0/s1
InChIKeyFRUYTZGOWCWRJX-QGWLNKKWSA-N
XLogP1.90
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)-3-pyridinyl]cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)-3-pyridinyl]cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide (CID 164553270) is N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)-3-pyridinyl]cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)-3-pyridinyl]cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)-3-pyridinyl]cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide is O=CCOc1ncccc1C1CCC(OC[C@@H]2NCCC[C@@H]2NS(=O)(=O)C2CC2)CC1.
What is the InChIKey of N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)-3-pyridinyl]cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide?
The InChIKey is FRUYTZGOWCWRJX-QGWLNKKWSA-N. The full InChI is InChI=1S/C22H33N3O5S/c26-13-14-29-22-19(3-1-12-24-22)16-5-7-17(8-6-16)30-15-21-20(4-2-11-23-21)25-31(27,28)18-9-10-18/h1,3,12-13,16-18,20-21,23,25H,2,4-11,14-15H2/t16?,17?,20-,21-/m0/s1.
What are the key properties of N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)-3-pyridinyl]cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide?
N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)-3-pyridinyl]cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide has a molecular weight of 451.59 g/mol, XLogP of 1.90, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-[[4-[2-(2-oxoethoxy)-3-pyridinyl]cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 164553270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).