1-(difluoromethylsulfonyl)-3-pyrrolidin-2-ylpiperidine

C10H18F2N2O2S — CID 54885427

IUPAC1-(difluoromethylsulfonyl)-3-pyrrolidin-2-ylpiperidine
SMILESO=S(=O)(C(F)F)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C10H18F2N2O2S/c11-10(12)17(15,16)14-6-2-3-8(7-14)9-4-1-5-13-9/h8-10,13H,1-7H2
InChIKeyBLHKXDDBZIJHFW-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.00
Rot. Bonds3

About 1-(difluoromethylsulfonyl)-3-pyrrolidin-2-ylpiperidine

1-(difluoromethylsulfonyl)-3-pyrrolidin-2-ylpiperidine (PubChem CID 54885427) has the molecular formula C10H18F2N2O2S and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3-pyrrolidin-2-ylpiperidine
PubChem CID54885427
Molecular FormulaC10H18F2N2O2S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC Name1-(difluoromethylsulfonyl)-3-pyrrolidin-2-ylpiperidine
SMILESO=S(=O)(C(F)F)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C10H18F2N2O2S/c11-10(12)17(15,16)14-6-2-3-8(7-14)9-4-1-5-13-9/h8-10,13H,1-7H2
InChIKeyBLHKXDDBZIJHFW-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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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(difluoromethylsulfonyl)-3-pyrrolidin-2-ylpiperidine (CID 54885427) is 1-(difluoromethylsulfonyl)-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3-pyrrolidin-2-ylpiperidine is O=S(=O)(C(F)F)N1CCCC(C2CCCN2)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3-pyrrolidin-2-ylpiperidine?
The InChIKey is BLHKXDDBZIJHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2S/c11-10(12)17(15,16)14-6-2-3-8(7-14)9-4-1-5-13-9/h8-10,13H,1-7H2.
What are the key properties of 1-(difluoromethylsulfonyl)-3-pyrrolidin-2-ylpiperidine?
1-(difluoromethylsulfonyl)-3-pyrrolidin-2-ylpiperidine 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 1-(difluoromethylsulfonyl)-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 54885427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).