2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine

C10H17F3N2O2S — CID 63256684

IUPAC2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
SMILESO=S(=O)(N1CCCCC1C1CCCN1)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)18(16,17)15-7-2-1-5-9(15)8-4-3-6-14-8/h8-9,14H,1-7H2
InChIKeyXDADDRSSKUDXOO-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.44
Rot. Bonds2

About 2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine

2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine (PubChem CID 63256684) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
PubChem CID63256684
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC Name2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
SMILESO=S(=O)(N1CCCCC1C1CCCN1)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)18(16,17)15-7-2-1-5-9(15)8-4-3-6-14-8/h8-9,14H,1-7H2
InChIKeyXDADDRSSKUDXOO-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine?
The IUPAC name of 2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine (CID 63256684) is 2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine.
What is the SMILES notation for 2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine?
The canonical SMILES for 2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine is O=S(=O)(N1CCCCC1C1CCCN1)C(F)(F)F.
What is the InChIKey of 2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine?
The InChIKey is XDADDRSSKUDXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c11-10(12,13)18(16,17)15-7-2-1-5-9(15)8-4-3-6-14-8/h8-9,14H,1-7H2.
What are the key properties of 2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine?
2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine has a molecular weight of 286.32 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine is sourced from PubChem (CID 63256684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).