(3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol

C20H20N2O3S — CID 130404376

IUPAC(3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol
SMILESO=S(=O)(c1ccccc1)c1cnc2c(N3CCC[C@H](O)C3)cccc2c1
InChIInChI=1S/C20H20N2O3S/c23-16-7-5-11-22(14-16)19-10-4-6-15-12-18(13-21-20(15)19)26(24,25)17-8-2-1-3-9-17/h1-4,6,8-10,12-13,16,23H,5,7,11,14H2/t16-/m0/s1
InChIKeyWAGKQZMEVTYMAE-INIZCTEOSA-N
MW368.46 g/mol
LogP3.03
Rot. Bonds3

About (3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol

(3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol (PubChem CID 130404376) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is (3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol
PubChem CID130404376
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name(3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol
SMILESO=S(=O)(c1ccccc1)c1cnc2c(N3CCC[C@H](O)C3)cccc2c1
InChIInChI=1S/C20H20N2O3S/c23-16-7-5-11-22(14-16)19-10-4-6-15-12-18(13-21-20(15)19)26(24,25)17-8-2-1-3-9-17/h1-4,6,8-10,12-13,16,23H,5,7,11,14H2/t16-/m0/s1
InChIKeyWAGKQZMEVTYMAE-INIZCTEOSA-N
XLogP3.03
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol?
The IUPAC name of (3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol (CID 130404376) is (3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol is O=S(=O)(c1ccccc1)c1cnc2c(N3CCC[C@H](O)C3)cccc2c1.
What is the InChIKey of (3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol?
The InChIKey is WAGKQZMEVTYMAE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20N2O3S/c23-16-7-5-11-22(14-16)19-10-4-6-15-12-18(13-21-20(15)19)26(24,25)17-8-2-1-3-9-17/h1-4,6,8-10,12-13,16,23H,5,7,11,14H2/t16-/m0/s1.
What are the key properties of (3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol?
(3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol has a molecular weight of 368.46 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol is sourced from PubChem (CID 130404376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).