4-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine

C10H18F2N2O2S — CID 54885516

IUPAC4-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine
SMILESO=S(=O)(C(F)F)N1CCCC1C1CCNCC1
InChIInChI=1S/C10H18F2N2O2S/c11-10(12)17(15,16)14-7-1-2-9(14)8-3-5-13-6-4-8/h8-10,13H,1-7H2
InChIKeySYYAHUINHCWGSD-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.00
Rot. Bonds3

About 4-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine

4-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine (PubChem CID 54885516) has the molecular formula C10H18F2N2O2S and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine
PubChem CID54885516
Molecular FormulaC10H18F2N2O2S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC Name4-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine
SMILESO=S(=O)(C(F)F)N1CCCC1C1CCNCC1
InChIInChI=1S/C10H18F2N2O2S/c11-10(12)17(15,16)14-7-1-2-9(14)8-3-5-13-6-4-8/h8-10,13H,1-7H2
InChIKeySYYAHUINHCWGSD-UHFFFAOYSA-N
XLogP1.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(5-ethyl-4,4-difluoropiperidin-3-yl)methyl]methanesulfonamide
CID 139343643
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
N-(2,2,2-trifluoro-1-piperidin-4-ylethyl)methanesulfonamide
CID 169312487
1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide
CID 43523458
1,1-difluoro-N-(1-piperidin-4-ylethyl)methanesulfonamide
CID 43523490
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,1-difluoromethanesulfonamide
CID 43597444
N-(5-azaspiro[3.5]nonan-8-yl)-1,1-difluoromethanesulfonamide
CID 43597961

Frequently Asked Questions

What is the IUPAC name of 4-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 4-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine (CID 54885516) is 4-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 4-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 4-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine is O=S(=O)(C(F)F)N1CCCC1C1CCNCC1.
What is the InChIKey of 4-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine?
The InChIKey is SYYAHUINHCWGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2S/c11-10(12)17(15,16)14-7-1-2-9(14)8-3-5-13-6-4-8/h8-10,13H,1-7H2.
What are the key properties of 4-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine?
4-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine has a molecular weight of 268.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 54885516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).