2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine

C17H26N2O2S — CID 168513063

IUPAC2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H26N2O2S/c1-14-6-5-7-15(2)19(14)22(20,21)17-10-8-16(9-11-17)18-12-3-4-13-18/h8-11,14-15H,3-7,12-13H2,1-2H3
InChIKeyPOJMMMPQZKNDNZ-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.24
Rot. Bonds3

About 2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine

2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine (PubChem CID 168513063) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine
PubChem CID168513063
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine
SMILESCC1CCCC(C)N1S(=O)(=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H26N2O2S/c1-14-6-5-7-15(2)19(14)22(20,21)17-10-8-16(9-11-17)18-12-3-4-13-18/h8-11,14-15H,3-7,12-13H2,1-2H3
InChIKeyPOJMMMPQZKNDNZ-UHFFFAOYSA-N
XLogP3.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine?
The IUPAC name of 2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine (CID 168513063) is 2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine.
What is the SMILES notation for 2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine?
The canonical SMILES for 2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine is CC1CCCC(C)N1S(=O)(=O)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine?
The InChIKey is POJMMMPQZKNDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-14-6-5-7-15(2)19(14)22(20,21)17-10-8-16(9-11-17)18-12-3-4-13-18/h8-11,14-15H,3-7,12-13H2,1-2H3.
What are the key properties of 2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine?
2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine has a molecular weight of 322.47 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine is sourced from PubChem (CID 168513063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).