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

C22H35N3O4S — CID 167117556

IUPACN-[(2R,3S)-2-[[4-(2-ethoxy-3-pyridinyl)cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide
SMILESCCOc1ncccc1C1CCC(OC[C@@H]2NCCC[C@@H]2NS(=O)(=O)C2CC2)CC1
InChIInChI=1S/C22H35N3O4S/c1-2-28-22-19(5-3-14-24-22)16-7-9-17(10-8-16)29-15-21-20(6-4-13-23-21)25-30(26,27)18-11-12-18/h3,5,14,16-18,20-21,23,25H,2,4,6-13,15H2,1H3/t16?,17?,20-,21-/m0/s1
InChIKeyKGXGKJOZXBYGFO-QGWLNKKWSA-N
MW437.61 g/mol
LogP2.73
Rot. Bonds9

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

N-[(2R,3S)-2-[[4-(2-ethoxy-3-pyridinyl)cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide (PubChem CID 167117556) has the molecular formula C22H35N3O4S and a molecular weight of 437.61 g/mol. Its IUPAC name is N-[(2R,3S)-2-[[4-(2-ethoxy-3-pyridinyl)cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-[[4-(2-ethoxy-3-pyridinyl)cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide
PubChem CID167117556
Molecular FormulaC22H35N3O4S
Molecular Weight437.61 g/mol
Exact Mass437.23
IUPAC NameN-[(2R,3S)-2-[[4-(2-ethoxy-3-pyridinyl)cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide
SMILESCCOc1ncccc1C1CCC(OC[C@@H]2NCCC[C@@H]2NS(=O)(=O)C2CC2)CC1
InChIInChI=1S/C22H35N3O4S/c1-2-28-22-19(5-3-14-24-22)16-7-9-17(10-8-16)29-15-21-20(6-4-13-23-21)25-30(26,27)18-11-12-18/h3,5,14,16-18,20-21,23,25H,2,4,6-13,15H2,1H3/t16?,17?,20-,21-/m0/s1
InChIKeyKGXGKJOZXBYGFO-QGWLNKKWSA-N
XLogP2.73
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-[[4-(2-ethoxy-3-pyridinyl)cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(2R,3S)-2-[[4-(2-ethoxy-3-pyridinyl)cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide (CID 167117556) is N-[(2R,3S)-2-[[4-(2-ethoxy-3-pyridinyl)cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(2R,3S)-2-[[4-(2-ethoxy-3-pyridinyl)cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(2R,3S)-2-[[4-(2-ethoxy-3-pyridinyl)cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide is CCOc1ncccc1C1CCC(OC[C@@H]2NCCC[C@@H]2NS(=O)(=O)C2CC2)CC1.
What is the InChIKey of N-[(2R,3S)-2-[[4-(2-ethoxy-3-pyridinyl)cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide?
The InChIKey is KGXGKJOZXBYGFO-QGWLNKKWSA-N. The full InChI is InChI=1S/C22H35N3O4S/c1-2-28-22-19(5-3-14-24-22)16-7-9-17(10-8-16)29-15-21-20(6-4-13-23-21)25-30(26,27)18-11-12-18/h3,5,14,16-18,20-21,23,25H,2,4,6-13,15H2,1H3/t16?,17?,20-,21-/m0/s1.
What are the key properties of N-[(2R,3S)-2-[[4-(2-ethoxy-3-pyridinyl)cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide?
N-[(2R,3S)-2-[[4-(2-ethoxy-3-pyridinyl)cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide has a molecular weight of 437.61 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-[[4-(2-ethoxy-3-pyridinyl)cyclohexyl]oxymethyl]piperidin-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 167117556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).