2-hydroxy-N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]ethanesulfonamide;N-[(4S)-1-(5-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-1-(6-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-3-ylpiperidin-4-yl]methanesulfonamide

C99H138N12O13S4 — CID 165040946

IUPAC2-hydroxy-N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]ethanesulfonamide;N-[(4S)-1-(5-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-1-(6-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-3-ylpiperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCN(c2cccnc2)CC1COC1CCC(c2ccccc2)CC1.Cc1ccc(N2CC[C@H](NS(C)(=O)=O)C(COC3CCC(c4ccccc4)CC3)C2)nc1.Cc1cccc(N2CC[C@H](NS(C)(=O)=O)C(COC3CCC(c4ccccc4)CC3)C2)n1.O=S(=O)(CCO)N[C@H]1CCN(c2ccccn2)CC1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H35N3O4S.2C25H35N3O3S.C24H33N3O3S/c29-16-17-33(30,31)27-24-13-15-28(25-8-4-5-14-26-25)18-22(24)19-32-23-11-9-21(10-12-23)20-6-2-1-3-7-20;1-19-7-6-10-25(26-19)28-16-15-24(27-32(2,29)30)22(17-28)18-31-23-13-11-21(12-14-23)20-8-4-3-5-9-20;1-19-8-13-25(26-16-19)28-15-14-24(27-32(2,29)30)22(17-28)18-31-23-11-9-21(10-12-23)20-6-4-3-5-7-20;1-31(28,29)26-24-13-15-27(22-8-5-14-25-16-22)17-21(24)18-30-23-11-9-20(10-12-23)19-6-3-2-4-7-19/h1-8,14,21-24,27,29H,9-13,15-19H2;3-10,21-24,27H,11-18H2,1-2H3;3-8,13,16,21-24,27H,9-12,14-15,17-18H2,1-2H3;2-8,14,16,20-21,23-24,26H,9-13,15,17-18H2,1H3/t3*21?,22?,23?,24-;20?,21?,23?,24-/m0000/s1
InChIKeyOCSCYRMGCXOADP-HQXVIGCPSA-N
MW1832.53 g/mol
LogP14.25
Rot. Bonds30

About 2-hydroxy-N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]ethanesulfonamide;N-[(4S)-1-(5-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-1-(6-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-3-ylpiperidin-4-yl]methanesulfonamide

2-hydroxy-N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]ethanesulfonamide;N-[(4S)-1-(5-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-1-(6-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-3-ylpiperidin-4-yl]methanesulfonamide (PubChem CID 165040946) has the molecular formula C99H138N12O13S4 and a molecular weight of 1832.53 g/mol. Its IUPAC name is 2-hydroxy-N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]ethanesulfonamide;N-[(4S)-1-(5-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-1-(6-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-3-ylpiperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]ethanesulfonamide;N-[(4S)-1-(5-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-1-(6-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-3-ylpiperidin-4-yl]methanesulfonamide
PubChem CID165040946
Molecular FormulaC99H138N12O13S4
Molecular Weight1832.53 g/mol
Exact Mass1830.94
IUPAC Name2-hydroxy-N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]ethanesulfonamide;N-[(4S)-1-(5-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-1-(6-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-3-ylpiperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCN(c2cccnc2)CC1COC1CCC(c2ccccc2)CC1.Cc1ccc(N2CC[C@H](NS(C)(=O)=O)C(COC3CCC(c4ccccc4)CC3)C2)nc1.Cc1cccc(N2CC[C@H](NS(C)(=O)=O)C(COC3CCC(c4ccccc4)CC3)C2)n1.O=S(=O)(CCO)N[C@H]1CCN(c2ccccn2)CC1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H35N3O4S.2C25H35N3O3S.C24H33N3O3S/c29-16-17-33(30,31)27-24-13-15-28(25-8-4-5-14-26-25)18-22(24)19-32-23-11-9-21(10-12-23)20-6-2-1-3-7-20;1-19-7-6-10-25(26-19)28-16-15-24(27-32(2,29)30)22(17-28)18-31-23-13-11-21(12-14-23)20-8-4-3-5-9-20;1-19-8-13-25(26-16-19)28-15-14-24(27-32(2,29)30)22(17-28)18-31-23-11-9-21(10-12-23)20-6-4-3-5-7-20;1-31(28,29)26-24-13-15-27(22-8-5-14-25-16-22)17-21(24)18-30-23-11-9-20(10-12-23)19-6-3-2-4-7-19/h1-8,14,21-24,27,29H,9-13,15-19H2;3-10,21-24,27H,11-18H2,1-2H3;3-8,13,16,21-24,27H,9-12,14-15,17-18H2,1-2H3;2-8,14,16,20-21,23-24,26H,9-13,15,17-18H2,1H3/t3*21?,22?,23?,24-;20?,21?,23?,24-/m0000/s1
InChIKeyOCSCYRMGCXOADP-HQXVIGCPSA-N
XLogP14.25
TPSA306.35 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds30
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001832.53
LogP ≤ 514.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 2-hydroxy-N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]ethanesulfonamide;N-[(4S)-1-(5-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-1-(6-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-3-ylpiperidin-4-yl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]ethanesulfonamide;N-[(4S)-1-(5-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-1-(6-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-3-ylpiperidin-4-yl]methanesulfonamide?
The IUPAC name of 2-hydroxy-N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]ethanesulfonamide;N-[(4S)-1-(5-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-1-(6-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-3-ylpiperidin-4-yl]methanesulfonamide (CID 165040946) is 2-hydroxy-N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]ethanesulfonamide;N-[(4S)-1-(5-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-1-(6-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-3-ylpiperidin-4-yl]methanesulfonamide.
What is the SMILES notation for 2-hydroxy-N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]ethanesulfonamide;N-[(4S)-1-(5-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-1-(6-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-3-ylpiperidin-4-yl]methanesulfonamide?
The canonical SMILES for 2-hydroxy-N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]ethanesulfonamide;N-[(4S)-1-(5-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-1-(6-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-3-ylpiperidin-4-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCN(c2cccnc2)CC1COC1CCC(c2ccccc2)CC1.Cc1ccc(N2CC[C@H](NS(C)(=O)=O)C(COC3CCC(c4ccccc4)CC3)C2)nc1.Cc1cccc(N2CC[C@H](NS(C)(=O)=O)C(COC3CCC(c4ccccc4)CC3)C2)n1.O=S(=O)(CCO)N[C@H]1CCN(c2ccccn2)CC1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-hydroxy-N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]ethanesulfonamide;N-[(4S)-1-(5-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-1-(6-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-3-ylpiperidin-4-yl]methanesulfonamide?
The InChIKey is OCSCYRMGCXOADP-HQXVIGCPSA-N. The full InChI is InChI=1S/C25H35N3O4S.2C25H35N3O3S.C24H33N3O3S/c29-16-17-33(30,31)27-24-13-15-28(25-8-4-5-14-26-25)18-22(24)19-32-23-11-9-21(10-12-23)20-6-2-1-3-7-20;1-19-7-6-10-25(26-19)28-16-15-24(27-32(2,29)30)22(17-28)18-31-23-13-11-21(12-14-23)20-8-4-3-5-9-20;1-19-8-13-25(26-16-19)28-15-14-24(27-32(2,29)30)22(17-28)18-31-23-11-9-21(10-12-23)20-6-4-3-5-7-20;1-31(28,29)26-24-13-15-27(22-8-5-14-25-16-22)17-21(24)18-30-23-11-9-20(10-12-23)19-6-3-2-4-7-19/h1-8,14,21-24,27,29H,9-13,15-19H2;3-10,21-24,27H,11-18H2,1-2H3;3-8,13,16,21-24,27H,9-12,14-15,17-18H2,1-2H3;2-8,14,16,20-21,23-24,26H,9-13,15,17-18H2,1H3/t3*21?,22?,23?,24-;20?,21?,23?,24-/m0000/s1.
What are the key properties of 2-hydroxy-N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]ethanesulfonamide;N-[(4S)-1-(5-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-1-(6-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-3-ylpiperidin-4-yl]methanesulfonamide?
2-hydroxy-N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]ethanesulfonamide;N-[(4S)-1-(5-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-1-(6-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-3-ylpiperidin-4-yl]methanesulfonamide has a molecular weight of 1832.53 g/mol, XLogP of 14.25, 30 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-2-ylpiperidin-4-yl]ethanesulfonamide;N-[(4S)-1-(5-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-1-(6-methyl-2-pyridinyl)-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-yl]methanesulfonamide;N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridin-3-ylpiperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 165040946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).