(1-cyclohexylpiperidin-4-yl)-(4-pyridin-2-ylsulfinylphenyl)methanone

C23H28N2O2S — CID 10135393

IUPAC(1-cyclohexylpiperidin-4-yl)-(4-pyridin-2-ylsulfinylphenyl)methanone
SMILESO=C(c1ccc(S(=O)c2ccccn2)cc1)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H28N2O2S/c26-23(19-13-16-25(17-14-19)20-6-2-1-3-7-20)18-9-11-21(12-10-18)28(27)22-8-4-5-15-24-22/h4-5,8-12,15,19-20H,1-3,6-7,13-14,16-17H2
InChIKeyYCCGYLHZPAKUNP-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.48
Rot. Bonds5

About (1-cyclohexylpiperidin-4-yl)-(4-pyridin-2-ylsulfinylphenyl)methanone

(1-cyclohexylpiperidin-4-yl)-(4-pyridin-2-ylsulfinylphenyl)methanone (PubChem CID 10135393) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is (1-cyclohexylpiperidin-4-yl)-(4-pyridin-2-ylsulfinylphenyl)methanone.

Molecular Properties

Compound Name(1-cyclohexylpiperidin-4-yl)-(4-pyridin-2-ylsulfinylphenyl)methanone
PubChem CID10135393
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC Name(1-cyclohexylpiperidin-4-yl)-(4-pyridin-2-ylsulfinylphenyl)methanone
SMILESO=C(c1ccc(S(=O)c2ccccn2)cc1)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H28N2O2S/c26-23(19-13-16-25(17-14-19)20-6-2-1-3-7-20)18-9-11-21(12-10-18)28(27)22-8-4-5-15-24-22/h4-5,8-12,15,19-20H,1-3,6-7,13-14,16-17H2
InChIKeyYCCGYLHZPAKUNP-UHFFFAOYSA-N
XLogP4.48
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylpiperidin-4-yl)-(4-pyridin-2-ylsulfinylphenyl)methanone?
The IUPAC name of (1-cyclohexylpiperidin-4-yl)-(4-pyridin-2-ylsulfinylphenyl)methanone (CID 10135393) is (1-cyclohexylpiperidin-4-yl)-(4-pyridin-2-ylsulfinylphenyl)methanone.
What is the SMILES notation for (1-cyclohexylpiperidin-4-yl)-(4-pyridin-2-ylsulfinylphenyl)methanone?
The canonical SMILES for (1-cyclohexylpiperidin-4-yl)-(4-pyridin-2-ylsulfinylphenyl)methanone is O=C(c1ccc(S(=O)c2ccccn2)cc1)C1CCN(C2CCCCC2)CC1.
What is the InChIKey of (1-cyclohexylpiperidin-4-yl)-(4-pyridin-2-ylsulfinylphenyl)methanone?
The InChIKey is YCCGYLHZPAKUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c26-23(19-13-16-25(17-14-19)20-6-2-1-3-7-20)18-9-11-21(12-10-18)28(27)22-8-4-5-15-24-22/h4-5,8-12,15,19-20H,1-3,6-7,13-14,16-17H2.
What are the key properties of (1-cyclohexylpiperidin-4-yl)-(4-pyridin-2-ylsulfinylphenyl)methanone?
(1-cyclohexylpiperidin-4-yl)-(4-pyridin-2-ylsulfinylphenyl)methanone has a molecular weight of 396.56 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylpiperidin-4-yl)-(4-pyridin-2-ylsulfinylphenyl)methanone is sourced from PubChem (CID 10135393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).