(3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol

C9H13ClN2O3S2 — CID 107271319

IUPAC(3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C9H13ClN2O3S2/c1-6-8(16-9(10)11-6)17(14,15)12-4-2-3-7(13)5-12/h7,13H,2-5H2,1H3/t7-/m0/s1
InChIKeyGDNJQYWTNJOTKN-ZETCQYMHSA-N
MW296.80 g/mol
LogP1.25
Rot. Bonds2

About (3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol

(3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol (PubChem CID 107271319) has the molecular formula C9H13ClN2O3S2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
PubChem CID107271319
Molecular FormulaC9H13ClN2O3S2
Molecular Weight296.80 g/mol
Exact Mass296.01
IUPAC Name(3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C9H13ClN2O3S2/c1-6-8(16-9(10)11-6)17(14,15)12-4-2-3-7(13)5-12/h7,13H,2-5H2,1H3/t7-/m0/s1
InChIKeyGDNJQYWTNJOTKN-ZETCQYMHSA-N
XLogP1.25
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol 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

4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane
CID 62973431
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine
CID 115671947
[(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol
CID 103833916
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine
CID 43456060
2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole
CID 79477565
2-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 103532801
(3S)-1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 107877932
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
CID 43562748
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 61045949
N-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide
CID 61041111
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
CID 54979772
1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol
CID 3867017

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol (CID 107271319) is (3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol is Cc1nc(Cl)sc1S(=O)(=O)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol?
The InChIKey is GDNJQYWTNJOTKN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13ClN2O3S2/c1-6-8(16-9(10)11-6)17(14,15)12-4-2-3-7(13)5-12/h7,13H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol?
(3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol has a molecular weight of 296.80 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol is sourced from PubChem (CID 107271319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).