2-(2-fluoro-2-methyl-5-methylsulfonylpentyl)piperidine

C12H24FNO2S — CID 113462350

IUPAC2-(2-fluoro-2-methyl-5-methylsulfonylpentyl)piperidine
SMILESCC(F)(CCCS(C)(=O)=O)CC1CCCCN1
InChIInChI=1S/C12H24FNO2S/c1-12(13,7-5-9-17(2,15)16)10-11-6-3-4-8-14-11/h11,14H,3-10H2,1-2H3
InChIKeyLSJUGBUKSGLWPO-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.07
Rot. Bonds6

About 2-(2-fluoro-2-methyl-5-methylsulfonylpentyl)piperidine

2-(2-fluoro-2-methyl-5-methylsulfonylpentyl)piperidine (PubChem CID 113462350) has the molecular formula C12H24FNO2S and a molecular weight of 265.39 g/mol. Its IUPAC name is 2-(2-fluoro-2-methyl-5-methylsulfonylpentyl)piperidine.

Molecular Properties

Compound Name2-(2-fluoro-2-methyl-5-methylsulfonylpentyl)piperidine
PubChem CID113462350
Molecular FormulaC12H24FNO2S
Molecular Weight265.39 g/mol
Exact Mass265.15
IUPAC Name2-(2-fluoro-2-methyl-5-methylsulfonylpentyl)piperidine
SMILESCC(F)(CCCS(C)(=O)=O)CC1CCCCN1
InChIInChI=1S/C12H24FNO2S/c1-12(13,7-5-9-17(2,15)16)10-11-6-3-4-8-14-11/h11,14H,3-10H2,1-2H3
InChIKeyLSJUGBUKSGLWPO-UHFFFAOYSA-N
XLogP2.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-(Methylsulfonyl)ethyl)piperidine
CID 53485993
N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine
CID 75500184
2-Methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
CID 156508692
3-Butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
CID 167269058
N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64629735
N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64629737
N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64630557
N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754878
N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757996
N-(3-methylsulfonylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64759309
3,3,3-trifluoro-N-methyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 80061842
3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-N-propylpropan-1-amine
CID 80061844

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-2-methyl-5-methylsulfonylpentyl)piperidine?
The IUPAC name of 2-(2-fluoro-2-methyl-5-methylsulfonylpentyl)piperidine (CID 113462350) is 2-(2-fluoro-2-methyl-5-methylsulfonylpentyl)piperidine.
What is the SMILES notation for 2-(2-fluoro-2-methyl-5-methylsulfonylpentyl)piperidine?
The canonical SMILES for 2-(2-fluoro-2-methyl-5-methylsulfonylpentyl)piperidine is CC(F)(CCCS(C)(=O)=O)CC1CCCCN1.
What is the InChIKey of 2-(2-fluoro-2-methyl-5-methylsulfonylpentyl)piperidine?
The InChIKey is LSJUGBUKSGLWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO2S/c1-12(13,7-5-9-17(2,15)16)10-11-6-3-4-8-14-11/h11,14H,3-10H2,1-2H3.
What are the key properties of 2-(2-fluoro-2-methyl-5-methylsulfonylpentyl)piperidine?
2-(2-fluoro-2-methyl-5-methylsulfonylpentyl)piperidine has a molecular weight of 265.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-2-methyl-5-methylsulfonylpentyl)piperidine is sourced from PubChem (CID 113462350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).