3-fluoro-3-(2-propylsulfonylethyl)piperidine

C10H20FNO2S — CID 106735896

IUPAC3-fluoro-3-(2-propylsulfonylethyl)piperidine
SMILESCCCS(=O)(=O)CCC1(F)CCCNC1
InChIInChI=1S/C10H20FNO2S/c1-2-7-15(13,14)8-5-10(11)4-3-6-12-9-10/h12H,2-9H2,1H3
InChIKeyGDSPVEWKLGNMBR-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.29
Rot. Bonds5

About 3-fluoro-3-(2-propylsulfonylethyl)piperidine

3-fluoro-3-(2-propylsulfonylethyl)piperidine (PubChem CID 106735896) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-fluoro-3-(2-propylsulfonylethyl)piperidine.

Molecular Properties

Compound Name3-fluoro-3-(2-propylsulfonylethyl)piperidine
PubChem CID106735896
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name3-fluoro-3-(2-propylsulfonylethyl)piperidine
SMILESCCCS(=O)(=O)CCC1(F)CCCNC1
InChIInChI=1S/C10H20FNO2S/c1-2-7-15(13,14)8-5-10(11)4-3-6-12-9-10/h12H,2-9H2,1H3
InChIKeyGDSPVEWKLGNMBR-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Thia-4-azaspiro[5.5]undecane, 1,1-dioxide
CID 71755714
4-(Methanesulfonylmethyl)piperidine hydrochloride
CID 46737055
4-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 66649711
4-(Propane-1-sulfonyl)piperidine hydrochloride
CID 66686902
4-(Propane-2-sulfonyl)piperidine hydrochloride
CID 71757881
2Lambda6-thia-7-azaspiro(4.5)decane-2,2-dione hydrochloride
CID 121552800
2,2-Diethyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 75478254
4-(Methanesulfonylmethyl)-4-methylpiperidine hydrochloride
CID 137935311
6lambda6-Thia-9-azaspiro[4.5]decane-6,6-dione hydrochloride
CID 165913416
2-Methanesulfonyl-7-azaspiro[3.5]nonane hydrochloride
CID 170915103
4-((Methylsulfonyl)methyl)piperidine
CID 22275402
4-(Propane-1-sulfonyl)piperidine
CID 54059246

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-propylsulfonylethyl)piperidine?
The IUPAC name of 3-fluoro-3-(2-propylsulfonylethyl)piperidine (CID 106735896) is 3-fluoro-3-(2-propylsulfonylethyl)piperidine.
What is the SMILES notation for 3-fluoro-3-(2-propylsulfonylethyl)piperidine?
The canonical SMILES for 3-fluoro-3-(2-propylsulfonylethyl)piperidine is CCCS(=O)(=O)CCC1(F)CCCNC1.
What is the InChIKey of 3-fluoro-3-(2-propylsulfonylethyl)piperidine?
The InChIKey is GDSPVEWKLGNMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-2-7-15(13,14)8-5-10(11)4-3-6-12-9-10/h12H,2-9H2,1H3.
What are the key properties of 3-fluoro-3-(2-propylsulfonylethyl)piperidine?
3-fluoro-3-(2-propylsulfonylethyl)piperidine has a molecular weight of 237.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-propylsulfonylethyl)piperidine is sourced from PubChem (CID 106735896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).