1-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]cyclopentan-1-ol

C17H23NO3S — CID 11232478

IUPAC1-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]cyclopentan-1-ol
SMILESCc1ccc(S(=O)(=O)N2CCCC=C2C2(O)CCCC2)cc1
InChIInChI=1S/C17H23NO3S/c1-14-7-9-15(10-8-14)22(20,21)18-13-5-2-6-16(18)17(19)11-3-4-12-17/h6-10,19H,2-5,11-13H2,1H3
InChIKeyJPHOGDBUOJZAOP-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.97
Rot. Bonds3

About 1-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]cyclopentan-1-ol

1-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]cyclopentan-1-ol (PubChem CID 11232478) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]cyclopentan-1-ol
PubChem CID11232478
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Name1-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]cyclopentan-1-ol
SMILESCc1ccc(S(=O)(=O)N2CCCC=C2C2(O)CCCC2)cc1
InChIInChI=1S/C17H23NO3S/c1-14-7-9-15(10-8-14)22(20,21)18-13-5-2-6-16(18)17(19)11-3-4-12-17/h6-10,19H,2-5,11-13H2,1H3
InChIKeyJPHOGDBUOJZAOP-UHFFFAOYSA-N
XLogP2.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]cyclopentan-1-ol?
The IUPAC name of 1-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]cyclopentan-1-ol (CID 11232478) is 1-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]cyclopentan-1-ol.
What is the SMILES notation for 1-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]cyclopentan-1-ol?
The canonical SMILES for 1-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]cyclopentan-1-ol is Cc1ccc(S(=O)(=O)N2CCCC=C2C2(O)CCCC2)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]cyclopentan-1-ol?
The InChIKey is JPHOGDBUOJZAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-14-7-9-15(10-8-14)22(20,21)18-13-5-2-6-16(18)17(19)11-3-4-12-17/h6-10,19H,2-5,11-13H2,1H3.
What are the key properties of 1-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]cyclopentan-1-ol?
1-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]cyclopentan-1-ol has a molecular weight of 321.44 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]cyclopentan-1-ol is sourced from PubChem (CID 11232478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).