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

C11H17ClN2O3S2 — CID 43456109

IUPAC2-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanol
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C11H17ClN2O3S2/c1-8-10(18-11(12)13-8)19(16,17)14-6-3-2-4-9(14)5-7-15/h9,15H,2-7H2,1H3
InChIKeyJYRPUAIARWQQLU-UHFFFAOYSA-N
MW324.86 g/mol
LogP2.03
Rot. Bonds4

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

2-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanol (PubChem CID 43456109) has the molecular formula C11H17ClN2O3S2 and a molecular weight of 324.86 g/mol. Its IUPAC name is 2-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanol
PubChem CID43456109
Molecular FormulaC11H17ClN2O3S2
Molecular Weight324.86 g/mol
Exact Mass324.04
IUPAC Name2-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanol
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C11H17ClN2O3S2/c1-8-10(18-11(12)13-8)19(16,17)14-6-3-2-4-9(14)5-7-15/h9,15H,2-7H2,1H3
InChIKeyJYRPUAIARWQQLU-UHFFFAOYSA-N
XLogP2.03
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanol (CID 43456109) is 2-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanol is Cc1nc(Cl)sc1S(=O)(=O)N1CCCCC1CCO.
What is the InChIKey of 2-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanol?
The InChIKey is JYRPUAIARWQQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S2/c1-8-10(18-11(12)13-8)19(16,17)14-6-3-2-4-9(14)5-7-15/h9,15H,2-7H2,1H3.
What are the key properties of 2-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanol?
2-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanol has a molecular weight of 324.86 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 43456109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).