methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate

C11H16ClN3O4S — CID 61041426

IUPACmethyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H16ClN3O4S/c1-14-7-13-10(9(14)12)20(17,18)15-6-4-3-5-8(15)11(16)19-2/h7-8H,3-6H2,1-2H3
InChIKeyWTHQRTZGTWFPNZ-UHFFFAOYSA-N
MW321.79 g/mol
LogP0.79
Rot. Bonds3

About methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate

methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate (PubChem CID 61041426) has the molecular formula C11H16ClN3O4S and a molecular weight of 321.79 g/mol. Its IUPAC name is methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate
PubChem CID61041426
Molecular FormulaC11H16ClN3O4S
Molecular Weight321.79 g/mol
Exact Mass321.06
IUPAC Namemethyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H16ClN3O4S/c1-14-7-13-10(9(14)12)20(17,18)15-6-4-3-5-8(15)11(16)19-2/h7-8H,3-6H2,1-2H3
InChIKeyWTHQRTZGTWFPNZ-UHFFFAOYSA-N
XLogP0.79
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylate
CID 43415551
(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide
CID 35329889
1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide
CID 43415310
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 35298247
(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 35610424
methyl 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-2-carboxylate
CID 4990872
methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
CID 103847980
methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 2357927
methyl 1-(1H-pyrrol-3-ylsulfonyl)piperidine-2-carboxylate
CID 113330736
methyl (2R)-1-(4-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 79836493
methyl 1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate
CID 103100590
methyl (2R)-1-(5-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 79836483

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate?
The IUPAC name of methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate (CID 61041426) is methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate?
The canonical SMILES for methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate is COC(=O)C1CCCCN1S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate?
The InChIKey is WTHQRTZGTWFPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S/c1-14-7-13-10(9(14)12)20(17,18)15-6-4-3-5-8(15)11(16)19-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate?
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate has a molecular weight of 321.79 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate is sourced from PubChem (CID 61041426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).