1-ethylsulfonyl-3-methylidenepiperidine

C8H15NO2S — CID 59324664

IUPAC1-ethylsulfonyl-3-methylidenepiperidine
SMILESC=C1CCCN(S(=O)(=O)CC)C1
InChIInChI=1S/C8H15NO2S/c1-3-12(10,11)9-6-4-5-8(2)7-9/h2-7H2,1H3
InChIKeyARYALKYHUGOUOS-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.99
Rot. Bonds2

About 1-ethylsulfonyl-3-methylidenepiperidine

1-ethylsulfonyl-3-methylidenepiperidine (PubChem CID 59324664) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-methylidenepiperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-methylidenepiperidine
PubChem CID59324664
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name1-ethylsulfonyl-3-methylidenepiperidine
SMILESC=C1CCCN(S(=O)(=O)CC)C1
InChIInChI=1S/C8H15NO2S/c1-3-12(10,11)9-6-4-5-8(2)7-9/h2-7H2,1H3
InChIKeyARYALKYHUGOUOS-UHFFFAOYSA-N
XLogP0.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-methylidenepiperidine?
The IUPAC name of 1-ethylsulfonyl-3-methylidenepiperidine (CID 59324664) is 1-ethylsulfonyl-3-methylidenepiperidine.
What is the SMILES notation for 1-ethylsulfonyl-3-methylidenepiperidine?
The canonical SMILES for 1-ethylsulfonyl-3-methylidenepiperidine is C=C1CCCN(S(=O)(=O)CC)C1.
What is the InChIKey of 1-ethylsulfonyl-3-methylidenepiperidine?
The InChIKey is ARYALKYHUGOUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-3-12(10,11)9-6-4-5-8(2)7-9/h2-7H2,1H3.
What are the key properties of 1-ethylsulfonyl-3-methylidenepiperidine?
1-ethylsulfonyl-3-methylidenepiperidine has a molecular weight of 189.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-methylidenepiperidine is sourced from PubChem (CID 59324664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).