1-(2-cyclohexylethylsulfonyl)-4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine

C17H27N3O2S — CID 128579317

IUPAC1-(2-cyclohexylethylsulfonyl)-4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine
SMILESCn1nccc1C1=CCN(S(=O)(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C17H27N3O2S/c1-19-17(7-11-18-19)16-8-12-20(13-9-16)23(21,22)14-10-15-5-3-2-4-6-15/h7-8,11,15H,2-6,9-10,12-14H2,1H3
InChIKeyCCDOWHMBFRUZFN-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.81
Rot. Bonds5

About 1-(2-cyclohexylethylsulfonyl)-4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine

1-(2-cyclohexylethylsulfonyl)-4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine (PubChem CID 128579317) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-(2-cyclohexylethylsulfonyl)-4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-cyclohexylethylsulfonyl)-4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine
PubChem CID128579317
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name1-(2-cyclohexylethylsulfonyl)-4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine
SMILESCn1nccc1C1=CCN(S(=O)(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C17H27N3O2S/c1-19-17(7-11-18-19)16-8-12-20(13-9-16)23(21,22)14-10-15-5-3-2-4-6-15/h7-8,11,15H,2-6,9-10,12-14H2,1H3
InChIKeyCCDOWHMBFRUZFN-UHFFFAOYSA-N
XLogP2.81
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethylsulfonyl)-4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-cyclohexylethylsulfonyl)-4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine (CID 128579317) is 1-(2-cyclohexylethylsulfonyl)-4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-cyclohexylethylsulfonyl)-4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-cyclohexylethylsulfonyl)-4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine is Cn1nccc1C1=CCN(S(=O)(=O)CCC2CCCCC2)CC1.
What is the InChIKey of 1-(2-cyclohexylethylsulfonyl)-4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is CCDOWHMBFRUZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-19-17(7-11-18-19)16-8-12-20(13-9-16)23(21,22)14-10-15-5-3-2-4-6-15/h7-8,11,15H,2-6,9-10,12-14H2,1H3.
What are the key properties of 1-(2-cyclohexylethylsulfonyl)-4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine?
1-(2-cyclohexylethylsulfonyl)-4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 337.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethylsulfonyl)-4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 128579317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).