(3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol

C13H18BrNO3S — CID 94156277

IUPAC(3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol
SMILESO=S(=O)(CCN1CCC[C@@H](O)C1)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO3S/c14-11-3-5-13(6-4-11)19(17,18)9-8-15-7-1-2-12(16)10-15/h3-6,12,16H,1-2,7-10H2/t12-/m1/s1
InChIKeyJHCOLXLVDVLUJJ-GFCCVEGCSA-N
MW348.26 g/mol
LogP1.68
Rot. Bonds4

About (3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol

(3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol (PubChem CID 94156277) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is (3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol
PubChem CID94156277
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC Name(3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol
SMILESO=S(=O)(CCN1CCC[C@@H](O)C1)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO3S/c14-11-3-5-13(6-4-11)19(17,18)9-8-15-7-1-2-12(16)10-15/h3-6,12,16H,1-2,7-10H2/t12-/m1/s1
InChIKeyJHCOLXLVDVLUJJ-GFCCVEGCSA-N
XLogP1.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol
CID 39894569
1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol
CID 42913567
[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol
CID 60642353
1-[2-(4-bromophenyl)sulfonylethyl]-3-methylpiperidin-4-ol
CID 114681390
(3S)-1-[2-(4-bromophenyl)sulfonylethyl]piperidine-3-carboxamide
CID 9305070
(9aS)-2-[2-(4-bromophenyl)sulfonylethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124779737
1-[2-(4-bromophenyl)sulfonylethyl]pyrrolidine-3-carboxylic acid
CID 63031361
8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768885
1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol
CID 60644915
1-[2-(4-bromophenyl)sulfonylethyl]-1,4-diazepane
CID 43162521
1-[2-(4-bromophenyl)sulfonylethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720539
1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol
CID 29440148

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol (CID 94156277) is (3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol is O=S(=O)(CCN1CCC[C@@H](O)C1)c1ccc(Br)cc1.
What is the InChIKey of (3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol?
The InChIKey is JHCOLXLVDVLUJJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c14-11-3-5-13(6-4-11)19(17,18)9-8-15-7-1-2-12(16)10-15/h3-6,12,16H,1-2,7-10H2/t12-/m1/s1.
What are the key properties of (3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol?
(3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol has a molecular weight of 348.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol is sourced from PubChem (CID 94156277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).