4-methoxy-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine

C11H22N2O3S — CID 54971974

IUPAC4-methoxy-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine
SMILESCOC1CCN(S(=O)(=O)CC2CCCN2)CC1
InChIInChI=1S/C11H22N2O3S/c1-16-11-4-7-13(8-5-11)17(14,15)9-10-3-2-6-12-10/h10-12H,2-9H2,1H3
InChIKeyCWUAHFYOTTVRFZ-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.18
Rot. Bonds4

About 4-methoxy-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine

4-methoxy-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine (PubChem CID 54971974) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 4-methoxy-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-methoxy-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine
PubChem CID54971974
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name4-methoxy-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine
SMILESCOC1CCN(S(=O)(=O)CC2CCCN2)CC1
InChIInChI=1S/C11H22N2O3S/c1-16-11-4-7-13(8-5-11)17(14,15)9-10-3-2-6-12-10/h10-12H,2-9H2,1H3
InChIKeyCWUAHFYOTTVRFZ-UHFFFAOYSA-N
XLogP0.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine?
The IUPAC name of 4-methoxy-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine (CID 54971974) is 4-methoxy-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 4-methoxy-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine?
The canonical SMILES for 4-methoxy-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine is COC1CCN(S(=O)(=O)CC2CCCN2)CC1.
What is the InChIKey of 4-methoxy-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine?
The InChIKey is CWUAHFYOTTVRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-16-11-4-7-13(8-5-11)17(14,15)9-10-3-2-6-12-10/h10-12H,2-9H2,1H3.
What are the key properties of 4-methoxy-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine?
4-methoxy-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine has a molecular weight of 262.37 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(pyrrolidin-2-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 54971974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).