1-(3-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol

C15H29NO3S — CID 79609311

IUPAC1-(3-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCCC1CCC(C(O)CC2CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C15H29NO3S/c1-3-12-6-7-14(9-12)15(17)10-13-5-4-8-16(11-13)20(2,18)19/h12-15,17H,3-11H2,1-2H3
InChIKeyPXWFVTQXBPUACW-UHFFFAOYSA-N
MW303.47 g/mol
LogP2.24
Rot. Bonds5

About 1-(3-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol

1-(3-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol (PubChem CID 79609311) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-(3-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
PubChem CID79609311
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC Name1-(3-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCCC1CCC(C(O)CC2CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C15H29NO3S/c1-3-12-6-7-14(9-12)15(17)10-13-5-4-8-16(11-13)20(2,18)19/h12-15,17H,3-11H2,1-2H3
InChIKeyPXWFVTQXBPUACW-UHFFFAOYSA-N
XLogP2.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The IUPAC name of 1-(3-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol (CID 79609311) is 1-(3-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol.
What is the SMILES notation for 1-(3-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The canonical SMILES for 1-(3-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol is CCC1CCC(C(O)CC2CCCN(S(C)(=O)=O)C2)C1.
What is the InChIKey of 1-(3-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The InChIKey is PXWFVTQXBPUACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-3-12-6-7-14(9-12)15(17)10-13-5-4-8-16(11-13)20(2,18)19/h12-15,17H,3-11H2,1-2H3.
What are the key properties of 1-(3-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
1-(3-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol has a molecular weight of 303.47 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol is sourced from PubChem (CID 79609311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).