1-butylsulfonyl-3-pyrrolidin-2-ylpiperidine

C13H26N2O2S — CID 54885476

IUPAC1-butylsulfonyl-3-pyrrolidin-2-ylpiperidine
SMILESCCCCS(=O)(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C13H26N2O2S/c1-2-3-10-18(16,17)15-9-5-6-12(11-15)13-7-4-8-14-13/h12-14H,2-11H2,1H3
InChIKeyOGJJEWWGOQXZLL-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.58
Rot. Bonds5

About 1-butylsulfonyl-3-pyrrolidin-2-ylpiperidine

1-butylsulfonyl-3-pyrrolidin-2-ylpiperidine (PubChem CID 54885476) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-butylsulfonyl-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-butylsulfonyl-3-pyrrolidin-2-ylpiperidine
PubChem CID54885476
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-butylsulfonyl-3-pyrrolidin-2-ylpiperidine
SMILESCCCCS(=O)(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C13H26N2O2S/c1-2-3-10-18(16,17)15-9-5-6-12(11-15)13-7-4-8-14-13/h12-14H,2-11H2,1H3
InChIKeyOGJJEWWGOQXZLL-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butylsulfonyl-3-pyrrolidin-2-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-butylsulfonyl-3-pyrrolidin-2-ylpiperidine (CID 54885476) is 1-butylsulfonyl-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-butylsulfonyl-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-butylsulfonyl-3-pyrrolidin-2-ylpiperidine is CCCCS(=O)(=O)N1CCCC(C2CCCN2)C1.
What is the InChIKey of 1-butylsulfonyl-3-pyrrolidin-2-ylpiperidine?
The InChIKey is OGJJEWWGOQXZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-3-10-18(16,17)15-9-5-6-12(11-15)13-7-4-8-14-13/h12-14H,2-11H2,1H3.
What are the key properties of 1-butylsulfonyl-3-pyrrolidin-2-ylpiperidine?
1-butylsulfonyl-3-pyrrolidin-2-ylpiperidine has a molecular weight of 274.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 54885476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).