(2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone

C12H14ClNO2S — CID 107024550

IUPAC(2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc(S)ccc1Cl)N1CCCC(O)C1
InChIInChI=1S/C12H14ClNO2S/c13-11-4-3-9(17)6-10(11)12(16)14-5-1-2-8(15)7-14/h3-4,6,8,15,17H,1-2,5,7H2
InChIKeyRKHOXCDVMWJYIM-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.23
Rot. Bonds1

About (2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone

(2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 107024550) has the molecular formula C12H14ClNO2S and a molecular weight of 271.77 g/mol. Its IUPAC name is (2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID107024550
Molecular FormulaC12H14ClNO2S
Molecular Weight271.77 g/mol
Exact Mass271.04
IUPAC Name(2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc(S)ccc1Cl)N1CCCC(O)C1
InChIInChI=1S/C12H14ClNO2S/c13-11-4-3-9(17)6-10(11)12(16)14-5-1-2-8(15)7-14/h3-4,6,8,15,17H,1-2,5,7H2
InChIKeyRKHOXCDVMWJYIM-UHFFFAOYSA-N
XLogP2.23
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
(2-chloro-5-sulfanylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 107029368
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
1-(2-chloro-5-sulfanylbenzoyl)pyrrolidine-3-carboxamide
CID 114082529
(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 93032513
(5-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032502
(4-chloro-2,5-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 82772196
(3-chloro-2-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224950
(2-chloro-5-sulfanylphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 107034172
(2-chloro-5-sulfanylphenyl)-(4-propylazepan-1-yl)methanone
CID 107030651
(2-chloro-5-sulfanylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 107024682
(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211689

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone (CID 107024550) is (2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone is O=C(c1cc(S)ccc1Cl)N1CCCC(O)C1.
What is the InChIKey of (2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is RKHOXCDVMWJYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2S/c13-11-4-3-9(17)6-10(11)12(16)14-5-1-2-8(15)7-14/h3-4,6,8,15,17H,1-2,5,7H2.
What are the key properties of (2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
(2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 271.77 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 107024550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).