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

C13H18ClNO3S — CID 39894569

IUPAC(3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol
SMILESO=S(=O)(CCN1CCC[C@@H](O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3S/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
InChIKeyLCTFILOOYKEILZ-GFCCVEGCSA-N
MW303.81 g/mol
LogP1.57
Rot. Bonds4

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

(3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol (PubChem CID 39894569) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is (3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol
PubChem CID39894569
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name(3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol
SMILESO=S(=O)(CCN1CCC[C@@H](O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3S/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
InChIKeyLCTFILOOYKEILZ-GFCCVEGCSA-N
XLogP1.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol
CID 42913567
(3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol
CID 94156277
1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol
CID 29440148
4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide
CID 57202265
[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55501337
1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol
CID 115966792
[(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol
CID 62046870
1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine
CID 65447506
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine
CID 597268
[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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol (CID 39894569) is (3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol is O=S(=O)(CCN1CCC[C@@H](O)C1)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol?
The InChIKey is LCTFILOOYKEILZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18ClNO3S/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-chlorophenyl)sulfonylethyl]piperidin-3-ol?
(3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol has a molecular weight of 303.81 g/mol, XLogP of 1.57, 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-chlorophenyl)sulfonylethyl]piperidin-3-ol is sourced from PubChem (CID 39894569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).