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

C11H15ClN2O4S2 — CID 79472305

IUPACmethyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(S(=O)(=O)c2sc(Cl)nc2C)C1
InChIInChI=1S/C11H15ClN2O4S2/c1-7-10(19-11(12)13-7)20(16,17)14-5-3-4-8(6-14)9(15)18-2/h8H,3-6H2,1-2H3
InChIKeyGBOGDGYGRYMCJI-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.68
Rot. Bonds3

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

methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate (PubChem CID 79472305) has the molecular formula C11H15ClN2O4S2 and a molecular weight of 338.84 g/mol. Its IUPAC name is methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate
PubChem CID79472305
Molecular FormulaC11H15ClN2O4S2
Molecular Weight338.84 g/mol
Exact Mass338.02
IUPAC Namemethyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(S(=O)(=O)c2sc(Cl)nc2C)C1
InChIInChI=1S/C11H15ClN2O4S2/c1-7-10(19-11(12)13-7)20(16,17)14-5-3-4-8(6-14)9(15)18-2/h8H,3-6H2,1-2H3
InChIKeyGBOGDGYGRYMCJI-UHFFFAOYSA-N
XLogP1.68
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate (CID 79472305) is methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate is COC(=O)C1CCCN(S(=O)(=O)c2sc(Cl)nc2C)C1.
What is the InChIKey of methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate?
The InChIKey is GBOGDGYGRYMCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S2/c1-7-10(19-11(12)13-7)20(16,17)14-5-3-4-8(6-14)9(15)18-2/h8H,3-6H2,1-2H3.
What are the key properties of methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate?
methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate has a molecular weight of 338.84 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate is sourced from PubChem (CID 79472305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).