2-(2-phenylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine

C17H26N2O2S — CID 56910692

IUPAC2-(2-phenylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine
SMILESO=S(=O)(N1CCCC1)N1CCCCC1CCc1ccccc1
InChIInChI=1S/C17H26N2O2S/c20-22(21,18-13-6-7-14-18)19-15-5-4-10-17(19)12-11-16-8-2-1-3-9-16/h1-3,8-9,17H,4-7,10-15H2
InChIKeyOFAFPTBTWARYPF-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.81
Rot. Bonds5

About 2-(2-phenylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine

2-(2-phenylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine (PubChem CID 56910692) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 2-(2-phenylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine.

Molecular Properties

Compound Name2-(2-phenylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine
PubChem CID56910692
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name2-(2-phenylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine
SMILESO=S(=O)(N1CCCC1)N1CCCCC1CCc1ccccc1
InChIInChI=1S/C17H26N2O2S/c20-22(21,18-13-6-7-14-18)19-15-5-4-10-17(19)12-11-16-8-2-1-3-9-16/h1-3,8-9,17H,4-7,10-15H2
InChIKeyOFAFPTBTWARYPF-UHFFFAOYSA-N
XLogP2.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine?
The IUPAC name of 2-(2-phenylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine (CID 56910692) is 2-(2-phenylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine.
What is the SMILES notation for 2-(2-phenylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine?
The canonical SMILES for 2-(2-phenylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine is O=S(=O)(N1CCCC1)N1CCCCC1CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine?
The InChIKey is OFAFPTBTWARYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c20-22(21,18-13-6-7-14-18)19-15-5-4-10-17(19)12-11-16-8-2-1-3-9-16/h1-3,8-9,17H,4-7,10-15H2.
What are the key properties of 2-(2-phenylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine?
2-(2-phenylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine has a molecular weight of 322.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine is sourced from PubChem (CID 56910692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).