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

C10H17F3N2O2S — CID 54885571

IUPAC3-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
SMILESO=S(=O)(N1CCCC(C2CCCN2)C1)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)18(16,17)15-6-2-3-8(7-15)9-4-1-5-14-9/h8-9,14H,1-7H2
InChIKeyMSCRGCSJYXSBTI-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.30
Rot. Bonds2

About 3-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine

3-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine (PubChem CID 54885571) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 3-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name3-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
PubChem CID54885571
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC Name3-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
SMILESO=S(=O)(N1CCCC(C2CCCN2)C1)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)18(16,17)15-6-2-3-8(7-15)9-4-1-5-14-9/h8-9,14H,1-7H2
InChIKeyMSCRGCSJYXSBTI-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine?
The IUPAC name of 3-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine (CID 54885571) is 3-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine.
What is the SMILES notation for 3-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine?
The canonical SMILES for 3-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine is O=S(=O)(N1CCCC(C2CCCN2)C1)C(F)(F)F.
What is the InChIKey of 3-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine?
The InChIKey is MSCRGCSJYXSBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c11-10(12,13)18(16,17)15-6-2-3-8(7-15)9-4-1-5-14-9/h8-9,14H,1-7H2.
What are the key properties of 3-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine?
3-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine has a molecular weight of 286.32 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine is sourced from PubChem (CID 54885571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).