2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole

C11H17ClN2O2S2 — CID 43456052

IUPAC2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
SMILESCc1nc(Cl)sc1S(=O)(=O)N1C(C)CCCC1C
InChIInChI=1S/C11H17ClN2O2S2/c1-7-5-4-6-8(2)14(7)18(15,16)10-9(3)13-11(12)17-10/h7-8H,4-6H2,1-3H3
InChIKeyADNMCQPPQGRRMH-UHFFFAOYSA-N
MW308.86 g/mol
LogP3.06
Rot. Bonds2

About 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole

2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole (PubChem CID 43456052) has the molecular formula C11H17ClN2O2S2 and a molecular weight of 308.86 g/mol. Its IUPAC name is 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
PubChem CID43456052
Molecular FormulaC11H17ClN2O2S2
Molecular Weight308.86 g/mol
Exact Mass308.04
IUPAC Name2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
SMILESCc1nc(Cl)sc1S(=O)(=O)N1C(C)CCCC1C
InChIInChI=1S/C11H17ClN2O2S2/c1-7-5-4-6-8(2)14(7)18(15,16)10-9(3)13-11(12)17-10/h7-8H,4-6H2,1-3H3
InChIKeyADNMCQPPQGRRMH-UHFFFAOYSA-N
XLogP3.06
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole (CID 43456052) is 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole is Cc1nc(Cl)sc1S(=O)(=O)N1C(C)CCCC1C.
What is the InChIKey of 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
The InChIKey is ADNMCQPPQGRRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S2/c1-7-5-4-6-8(2)14(7)18(15,16)10-9(3)13-11(12)17-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole?
2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole has a molecular weight of 308.86 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 43456052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).