4-(2,2-dimethylpyrrolidin-1-yl)sulfonylpiperidine

C11H22N2O2S — CID 63218259

IUPAC4-(2,2-dimethylpyrrolidin-1-yl)sulfonylpiperidine
SMILESCC1(C)CCCN1S(=O)(=O)C1CCNCC1
InChIInChI=1S/C11H22N2O2S/c1-11(2)6-3-9-13(11)16(14,15)10-4-7-12-8-5-10/h10,12H,3-9H2,1-2H3
InChIKeyLFMMVFARWWJKLE-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.94
Rot. Bonds2

About 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylpiperidine

4-(2,2-dimethylpyrrolidin-1-yl)sulfonylpiperidine (PubChem CID 63218259) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(2,2-dimethylpyrrolidin-1-yl)sulfonylpiperidine
PubChem CID63218259
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name4-(2,2-dimethylpyrrolidin-1-yl)sulfonylpiperidine
SMILESCC1(C)CCCN1S(=O)(=O)C1CCNCC1
InChIInChI=1S/C11H22N2O2S/c1-11(2)6-3-9-13(11)16(14,15)10-4-7-12-8-5-10/h10,12H,3-9H2,1-2H3
InChIKeyLFMMVFARWWJKLE-UHFFFAOYSA-N
XLogP0.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylpiperidine?
The IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylpiperidine (CID 63218259) is 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylpiperidine.
What is the SMILES notation for 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylpiperidine?
The canonical SMILES for 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylpiperidine is CC1(C)CCCN1S(=O)(=O)C1CCNCC1.
What is the InChIKey of 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylpiperidine?
The InChIKey is LFMMVFARWWJKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-11(2)6-3-9-13(11)16(14,15)10-4-7-12-8-5-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylpiperidine?
4-(2,2-dimethylpyrrolidin-1-yl)sulfonylpiperidine has a molecular weight of 246.38 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpyrrolidin-1-yl)sulfonylpiperidine is sourced from PubChem (CID 63218259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).