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

C10H17F3N2O2S — CID 63259120

IUPAC4-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
SMILESO=S(=O)(N1CCC(C2CCCN2)CC1)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)18(16,17)15-6-3-8(4-7-15)9-2-1-5-14-9/h8-9,14H,1-7H2
InChIKeyUCIQLRDATLCPFI-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.30
Rot. Bonds2

About 4-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine

4-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine (PubChem CID 63259120) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 4-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
PubChem CID63259120
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC Name4-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
SMILESO=S(=O)(N1CCC(C2CCCN2)CC1)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)18(16,17)15-6-3-8(4-7-15)9-2-1-5-14-9/h8-9,14H,1-7H2
InChIKeyUCIQLRDATLCPFI-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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Related Compounds

Bis(trifluoromethylsulfonyl)azanide;3-butylpyrrolidin-1-ium
CID 87458051
N-[(4,4-difluoro-6-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343595
N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343599
N-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343667
N-((4,4-Difluoro-2,5-dimethylpiperidin-3-yl)methyl)methanesulfonamide
CID 139343963
N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;methane
CID 162066506
3-[1-(3,3-Difluoro-4-propan-2-ylpyrrolidin-2-yl)propan-2-yl]-1-methylsulfonylpiperidine
CID 167287004
3-butylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 173083829
1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide
CID 43523458
1,1-difluoro-N-(1-piperidin-4-ylethyl)methanesulfonamide
CID 43523490
N-(1-azaspiro[5.5]undecan-4-yl)-1,1,1-trifluoromethanesulfonamide
CID 43598115
1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide
CID 53376311

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine?
The IUPAC name of 4-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine (CID 63259120) is 4-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine.
What is the SMILES notation for 4-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine?
The canonical SMILES for 4-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine is O=S(=O)(N1CCC(C2CCCN2)CC1)C(F)(F)F.
What is the InChIKey of 4-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine?
The InChIKey is UCIQLRDATLCPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c11-10(12,13)18(16,17)15-6-3-8(4-7-15)9-2-1-5-14-9/h8-9,14H,1-7H2.
What are the key properties of 4-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine?
4-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 4-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine is sourced from PubChem (CID 63259120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).