(3R)-3-fluoro-1-(4-methylphenyl)sulfonylpiperidine

C12H16FNO2S — CID 91218792

IUPAC(3R)-3-fluoro-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](F)C2)cc1
InChIInChI=1S/C12H16FNO2S/c1-10-4-6-12(7-5-10)17(15,16)14-8-2-3-11(13)9-14/h4-7,11H,2-3,8-9H2,1H3/t11-/m1/s1
InChIKeyXFUBIWLSBKMOGT-LLVKDONJSA-N
MW257.33 g/mol
LogP2.12
Rot. Bonds2

About (3R)-3-fluoro-1-(4-methylphenyl)sulfonylpiperidine

(3R)-3-fluoro-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 91218792) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is (3R)-3-fluoro-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name(3R)-3-fluoro-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID91218792
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name(3R)-3-fluoro-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](F)C2)cc1
InChIInChI=1S/C12H16FNO2S/c1-10-4-6-12(7-5-10)17(15,16)14-8-2-3-11(13)9-14/h4-7,11H,2-3,8-9H2,1H3/t11-/m1/s1
InChIKeyXFUBIWLSBKMOGT-LLVKDONJSA-N
XLogP2.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenesulfonamide, N,N,4-trimethyl-
CID 11743
Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
p-Toluenesulfonamide, N,N-diethyl-
CID 69539
N,3-Dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)benzenesulfonamide
CID 5312148
1-Methyl-4-(para-tolylsulfonyl)-piperazine
CID 269717
1-Tosylpiperidin-4-one
CID 560957
1-Benzene sulfonyl-cis-2,6-dimethyl piperidine
CID 726586
(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669
1-(Phenylsulfonyl)piperidine
CID 78733
1-Phenylmethanesulfonyl-piperidine
CID 273955
1'-((4-Methylphenyl)sulfonyl)spiro(1H-indene-1,4'-piperidine)
CID 9797987
N-benzyl-N-ethyl-4-fluorobenzenesulfonamide
CID 668993

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of (3R)-3-fluoro-1-(4-methylphenyl)sulfonylpiperidine (CID 91218792) is (3R)-3-fluoro-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for (3R)-3-fluoro-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for (3R)-3-fluoro-1-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCC[C@@H](F)C2)cc1.
What is the InChIKey of (3R)-3-fluoro-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is XFUBIWLSBKMOGT-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-10-4-6-12(7-5-10)17(15,16)14-8-2-3-11(13)9-14/h4-7,11H,2-3,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-fluoro-1-(4-methylphenyl)sulfonylpiperidine?
(3R)-3-fluoro-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 257.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 91218792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).