1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine

C13H26N2O3S — CID 63256330

IUPAC1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine
SMILESCCOCCS(=O)(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C13H26N2O3S/c1-2-18-10-11-19(16,17)15-9-4-3-7-13(15)12-6-5-8-14-12/h12-14H,2-11H2,1H3
InChIKeyKQEULADOOPWNMW-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.96
Rot. Bonds6

About 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine

1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine (PubChem CID 63256330) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine
PubChem CID63256330
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine
SMILESCCOCCS(=O)(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C13H26N2O3S/c1-2-18-10-11-19(16,17)15-9-4-3-7-13(15)12-6-5-8-14-12/h12-14H,2-11H2,1H3
InChIKeyKQEULADOOPWNMW-UHFFFAOYSA-N
XLogP0.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine (CID 63256330) is 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine is CCOCCS(=O)(=O)N1CCCCC1C1CCCN1.
What is the InChIKey of 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine?
The InChIKey is KQEULADOOPWNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-2-18-10-11-19(16,17)15-9-4-3-7-13(15)12-6-5-8-14-12/h12-14H,2-11H2,1H3.
What are the key properties of 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine?
1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine has a molecular weight of 290.43 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63256330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).