3-(ethylsulfonylmethyl)piperidine

C8H17NO2S — CID 55220657

IUPAC3-(ethylsulfonylmethyl)piperidine
SMILESCCS(=O)(=O)CC1CCCNC1
InChIInChI=1S/C8H17NO2S/c1-2-12(10,11)7-8-4-3-5-9-6-8/h8-9H,2-7H2,1H3
InChIKeyVPBRDNPSFDUTMU-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.42
Rot. Bonds3

About 3-(ethylsulfonylmethyl)piperidine

3-(ethylsulfonylmethyl)piperidine (PubChem CID 55220657) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-(ethylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name3-(ethylsulfonylmethyl)piperidine
PubChem CID55220657
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-(ethylsulfonylmethyl)piperidine
SMILESCCS(=O)(=O)CC1CCCNC1
InChIInChI=1S/C8H17NO2S/c1-2-12(10,11)7-8-4-3-5-9-6-8/h8-9H,2-7H2,1H3
InChIKeyVPBRDNPSFDUTMU-UHFFFAOYSA-N
XLogP0.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfonylmethyl)piperidine?
The IUPAC name of 3-(ethylsulfonylmethyl)piperidine (CID 55220657) is 3-(ethylsulfonylmethyl)piperidine.
What is the SMILES notation for 3-(ethylsulfonylmethyl)piperidine?
The canonical SMILES for 3-(ethylsulfonylmethyl)piperidine is CCS(=O)(=O)CC1CCCNC1.
What is the InChIKey of 3-(ethylsulfonylmethyl)piperidine?
The InChIKey is VPBRDNPSFDUTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-2-12(10,11)7-8-4-3-5-9-6-8/h8-9H,2-7H2,1H3.
What are the key properties of 3-(ethylsulfonylmethyl)piperidine?
3-(ethylsulfonylmethyl)piperidine has a molecular weight of 191.30 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfonylmethyl)piperidine is sourced from PubChem (CID 55220657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).