3-(3,3-difluoropropylsulfonyl)piperidine

C8H15F2NO2S — CID 84691209

IUPAC3-(3,3-difluoropropylsulfonyl)piperidine
SMILESO=S(=O)(CCC(F)F)C1CCCNC1
InChIInChI=1S/C8H15F2NO2S/c9-8(10)3-5-14(12,13)7-2-1-4-11-6-7/h7-8,11H,1-6H2
InChIKeyYZDAITHDXSAMEW-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.81
Rot. Bonds4

About 3-(3,3-difluoropropylsulfonyl)piperidine

3-(3,3-difluoropropylsulfonyl)piperidine (PubChem CID 84691209) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-(3,3-difluoropropylsulfonyl)piperidine.

Molecular Properties

Compound Name3-(3,3-difluoropropylsulfonyl)piperidine
PubChem CID84691209
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC Name3-(3,3-difluoropropylsulfonyl)piperidine
SMILESO=S(=O)(CCC(F)F)C1CCCNC1
InChIInChI=1S/C8H15F2NO2S/c9-8(10)3-5-14(12,13)7-2-1-4-11-6-7/h7-8,11H,1-6H2
InChIKeyYZDAITHDXSAMEW-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,3-difluoropropylsulfonyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methanesulfonylpiperidine
CID 22275823
4-(Propane-1-sulfonyl)piperidine hydrochloride
CID 66686902
4-(Propane-2-sulfonyl)piperidine hydrochloride
CID 71757881
4-(Methanesulfonyl)piperidine
CID 22275038
4-Difluoromethanesulfonylpiperidine hydrochloride
CID 154814546
4-(Ethanesulfonyl)piperidine
CID 53404297
4-(Propane-1-sulfonyl)piperidine
CID 54059246
4-(Propane-2-sulfonyl)piperidine
CID 57231271
1-Methanidyl-4-(trifluoromethylsulfonyl)piperidin-1-ium
CID 57868235
4-(Trifluoromethylsulfonyl)piperidine
CID 66596407
N-(2-fluoroethyl)-3-(4,4,5,5,5-pentafluoropentylsulfonyl)propan-1-amine
CID 86696821
3-(4,4,5,5,5-pentafluoropentylsulfonyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 86696826

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropropylsulfonyl)piperidine?
The IUPAC name of 3-(3,3-difluoropropylsulfonyl)piperidine (CID 84691209) is 3-(3,3-difluoropropylsulfonyl)piperidine.
What is the SMILES notation for 3-(3,3-difluoropropylsulfonyl)piperidine?
The canonical SMILES for 3-(3,3-difluoropropylsulfonyl)piperidine is O=S(=O)(CCC(F)F)C1CCCNC1.
What is the InChIKey of 3-(3,3-difluoropropylsulfonyl)piperidine?
The InChIKey is YZDAITHDXSAMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c9-8(10)3-5-14(12,13)7-2-1-4-11-6-7/h7-8,11H,1-6H2.
What are the key properties of 3-(3,3-difluoropropylsulfonyl)piperidine?
3-(3,3-difluoropropylsulfonyl)piperidine has a molecular weight of 227.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropropylsulfonyl)piperidine is sourced from PubChem (CID 84691209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).