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

C8H11ClN2O3S2 — CID 107877932

IUPAC(3S)-1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
SMILESO=S(=O)(c1cnc(Cl)s1)N1CCC[C@H](O)C1
InChIInChI=1S/C8H11ClN2O3S2/c9-8-10-4-7(15-8)16(13,14)11-3-1-2-6(12)5-11/h4,6,12H,1-3,5H2/t6-/m0/s1
InChIKeyVSBYNXQXLFLROG-LURJTMIESA-N
MW282.77 g/mol
LogP0.94
Rot. Bonds2

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

(3S)-1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol (PubChem CID 107877932) has the molecular formula C8H11ClN2O3S2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (3S)-1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
PubChem CID107877932
Molecular FormulaC8H11ClN2O3S2
Molecular Weight282.77 g/mol
Exact Mass281.99
IUPAC Name(3S)-1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
SMILESO=S(=O)(c1cnc(Cl)s1)N1CCC[C@H](O)C1
InChIInChI=1S/C8H11ClN2O3S2/c9-8-10-4-7(15-8)16(13,14)11-3-1-2-6(12)5-11/h4,6,12H,1-3,5H2/t6-/m0/s1
InChIKeyVSBYNXQXLFLROG-LURJTMIESA-N
XLogP0.94
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 103847906
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanesulfonamide
CID 61047427
2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole
CID 61047388
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-1,4-thiazepane
CID 61419635
2-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1,3-thiazole
CID 61042545
(3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 107271319
2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43455811
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
CID 43562749
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 61045053
(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
CID 71654100
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one
CID 43427528
1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N-methylpiperidine-2-carboxamide
CID 61046496

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol (CID 107877932) is (3S)-1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol is O=S(=O)(c1cnc(Cl)s1)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol?
The InChIKey is VSBYNXQXLFLROG-LURJTMIESA-N. The full InChI is InChI=1S/C8H11ClN2O3S2/c9-8-10-4-7(15-8)16(13,14)11-3-1-2-6(12)5-11/h4,6,12H,1-3,5H2/t6-/m0/s1.
What are the key properties of (3S)-1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol?
(3S)-1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol has a molecular weight of 282.77 g/mol, XLogP of 0.94, 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-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol is sourced from PubChem (CID 107877932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).