3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine

C10H18F2N2O2S — CID 54885949

IUPAC3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine
SMILESO=S(=O)(C(F)F)N1CCCC1C1CCCNC1
InChIInChI=1S/C10H18F2N2O2S/c11-10(12)17(15,16)14-6-2-4-9(14)8-3-1-5-13-7-8/h8-10,13H,1-7H2
InChIKeyGVFYYINMHAKNLV-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.00
Rot. Bonds3

About 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine

3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine (PubChem CID 54885949) has the molecular formula C10H18F2N2O2S and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine
PubChem CID54885949
Molecular FormulaC10H18F2N2O2S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC Name3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine
SMILESO=S(=O)(C(F)F)N1CCCC1C1CCCNC1
InChIInChI=1S/C10H18F2N2O2S/c11-10(12)17(15,16)14-6-2-4-9(14)8-3-1-5-13-7-8/h8-10,13H,1-7H2
InChIKeyGVFYYINMHAKNLV-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

Analyze 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine 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 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine (CID 54885949) is 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine is O=S(=O)(C(F)F)N1CCCC1C1CCCNC1.
What is the InChIKey of 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine?
The InChIKey is GVFYYINMHAKNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2S/c11-10(12)17(15,16)14-6-2-4-9(14)8-3-1-5-13-7-8/h8-10,13H,1-7H2.
What are the key properties of 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine?
3-[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 3-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 54885949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).