N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide

C23H32N4O3S — CID 167125922

IUPACN-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2cccnn2)C[C@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H32N4O3S/c1-31(28,29)26-22-13-15-27(23-8-5-14-24-25-23)16-20(22)17-30-21-11-9-19(10-12-21)18-6-3-2-4-7-18/h2-8,14,19-22,26H,9-13,15-17H2,1H3/t19?,20-,21?,22?/m0/s1
InChIKeyYXNLDOJYZQGPCL-YPBFCJAHSA-N
MW444.60 g/mol
LogP2.96
Rot. Bonds7

About N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide

N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide (PubChem CID 167125922) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide
PubChem CID167125922
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC NameN-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2cccnn2)C[C@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H32N4O3S/c1-31(28,29)26-22-13-15-27(23-8-5-14-24-25-23)16-20(22)17-30-21-11-9-19(10-12-21)18-6-3-2-4-7-18/h2-8,14,19-22,26H,9-13,15-17H2,1H3/t19?,20-,21?,22?/m0/s1
InChIKeyYXNLDOJYZQGPCL-YPBFCJAHSA-N
XLogP2.96
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide (CID 167125922) is N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(c2cccnn2)C[C@H]1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide?
The InChIKey is YXNLDOJYZQGPCL-YPBFCJAHSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-31(28,29)26-22-13-15-27(23-8-5-14-24-25-23)16-20(22)17-30-21-11-9-19(10-12-21)18-6-3-2-4-7-18/h2-8,14,19-22,26H,9-13,15-17H2,1H3/t19?,20-,21?,22?/m0/s1.
What are the key properties of N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide?
N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide has a molecular weight of 444.60 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 167125922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).