3,5-dimethyl-1-(2-propan-2-ylpyrrolidin-1-yl)sulfonylpiperidine

C14H28N2O2S — CID 71885412

IUPAC3,5-dimethyl-1-(2-propan-2-ylpyrrolidin-1-yl)sulfonylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC2C(C)C)C1
InChIInChI=1S/C14H28N2O2S/c1-11(2)14-6-5-7-16(14)19(17,18)15-9-12(3)8-13(4)10-15/h11-14H,5-10H2,1-4H3
InChIKeyFZYMWCSMBRLELT-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.33
Rot. Bonds3

About 3,5-dimethyl-1-(2-propan-2-ylpyrrolidin-1-yl)sulfonylpiperidine

3,5-dimethyl-1-(2-propan-2-ylpyrrolidin-1-yl)sulfonylpiperidine (PubChem CID 71885412) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-propan-2-ylpyrrolidin-1-yl)sulfonylpiperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-propan-2-ylpyrrolidin-1-yl)sulfonylpiperidine
PubChem CID71885412
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name3,5-dimethyl-1-(2-propan-2-ylpyrrolidin-1-yl)sulfonylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC2C(C)C)C1
InChIInChI=1S/C14H28N2O2S/c1-11(2)14-6-5-7-16(14)19(17,18)15-9-12(3)8-13(4)10-15/h11-14H,5-10H2,1-4H3
InChIKeyFZYMWCSMBRLELT-UHFFFAOYSA-N
XLogP2.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-propan-2-ylpyrrolidin-1-yl)sulfonylpiperidine?
The IUPAC name of 3,5-dimethyl-1-(2-propan-2-ylpyrrolidin-1-yl)sulfonylpiperidine (CID 71885412) is 3,5-dimethyl-1-(2-propan-2-ylpyrrolidin-1-yl)sulfonylpiperidine.
What is the SMILES notation for 3,5-dimethyl-1-(2-propan-2-ylpyrrolidin-1-yl)sulfonylpiperidine?
The canonical SMILES for 3,5-dimethyl-1-(2-propan-2-ylpyrrolidin-1-yl)sulfonylpiperidine is CC1CC(C)CN(S(=O)(=O)N2CCCC2C(C)C)C1.
What is the InChIKey of 3,5-dimethyl-1-(2-propan-2-ylpyrrolidin-1-yl)sulfonylpiperidine?
The InChIKey is FZYMWCSMBRLELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-11(2)14-6-5-7-16(14)19(17,18)15-9-12(3)8-13(4)10-15/h11-14H,5-10H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-(2-propan-2-ylpyrrolidin-1-yl)sulfonylpiperidine?
3,5-dimethyl-1-(2-propan-2-ylpyrrolidin-1-yl)sulfonylpiperidine has a molecular weight of 288.46 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-propan-2-ylpyrrolidin-1-yl)sulfonylpiperidine is sourced from PubChem (CID 71885412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).