1-(4-methylpiperidin-2-yl)-2-methylsulfonylcyclopentan-1-ol

C12H23NO3S — CID 65049714

IUPAC1-(4-methylpiperidin-2-yl)-2-methylsulfonylcyclopentan-1-ol
SMILESCC1CCNC(C2(O)CCCC2S(C)(=O)=O)C1
InChIInChI=1S/C12H23NO3S/c1-9-5-7-13-10(8-9)12(14)6-3-4-11(12)17(2,15)16/h9-11,13-14H,3-8H2,1-2H3
InChIKeyYFDOTAKXISFKRR-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.70
Rot. Bonds2

About 1-(4-methylpiperidin-2-yl)-2-methylsulfonylcyclopentan-1-ol

1-(4-methylpiperidin-2-yl)-2-methylsulfonylcyclopentan-1-ol (PubChem CID 65049714) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(4-methylpiperidin-2-yl)-2-methylsulfonylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(4-methylpiperidin-2-yl)-2-methylsulfonylcyclopentan-1-ol
PubChem CID65049714
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name1-(4-methylpiperidin-2-yl)-2-methylsulfonylcyclopentan-1-ol
SMILESCC1CCNC(C2(O)CCCC2S(C)(=O)=O)C1
InChIInChI=1S/C12H23NO3S/c1-9-5-7-13-10(8-9)12(14)6-3-4-11(12)17(2,15)16/h9-11,13-14H,3-8H2,1-2H3
InChIKeyYFDOTAKXISFKRR-UHFFFAOYSA-N
XLogP0.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-2-yl)-2-methylsulfonylcyclopentan-1-ol?
The IUPAC name of 1-(4-methylpiperidin-2-yl)-2-methylsulfonylcyclopentan-1-ol (CID 65049714) is 1-(4-methylpiperidin-2-yl)-2-methylsulfonylcyclopentan-1-ol.
What is the SMILES notation for 1-(4-methylpiperidin-2-yl)-2-methylsulfonylcyclopentan-1-ol?
The canonical SMILES for 1-(4-methylpiperidin-2-yl)-2-methylsulfonylcyclopentan-1-ol is CC1CCNC(C2(O)CCCC2S(C)(=O)=O)C1.
What is the InChIKey of 1-(4-methylpiperidin-2-yl)-2-methylsulfonylcyclopentan-1-ol?
The InChIKey is YFDOTAKXISFKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-9-5-7-13-10(8-9)12(14)6-3-4-11(12)17(2,15)16/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-2-yl)-2-methylsulfonylcyclopentan-1-ol?
1-(4-methylpiperidin-2-yl)-2-methylsulfonylcyclopentan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-2-yl)-2-methylsulfonylcyclopentan-1-ol is sourced from PubChem (CID 65049714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).