4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidine

C12H24N2O2S — CID 83219761

IUPAC4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidine
SMILESCCC1CCC(C)N1S(=O)(=O)C1CCNCC1
InChIInChI=1S/C12H24N2O2S/c1-3-11-5-4-10(2)14(11)17(15,16)12-6-8-13-9-7-12/h10-13H,3-9H2,1-2H3
InChIKeyBQJCFFIDXKCWIV-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.33
Rot. Bonds3

About 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidine

4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidine (PubChem CID 83219761) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidine
PubChem CID83219761
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidine
SMILESCCC1CCC(C)N1S(=O)(=O)C1CCNCC1
InChIInChI=1S/C12H24N2O2S/c1-3-11-5-4-10(2)14(11)17(15,16)12-6-8-13-9-7-12/h10-13H,3-9H2,1-2H3
InChIKeyBQJCFFIDXKCWIV-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidine?
The IUPAC name of 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidine (CID 83219761) is 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidine.
What is the SMILES notation for 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidine?
The canonical SMILES for 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidine is CCC1CCC(C)N1S(=O)(=O)C1CCNCC1.
What is the InChIKey of 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidine?
The InChIKey is BQJCFFIDXKCWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-3-11-5-4-10(2)14(11)17(15,16)12-6-8-13-9-7-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidine?
4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidine has a molecular weight of 260.40 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidine is sourced from PubChem (CID 83219761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).