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

C10H14ClN3O4S — CID 43415551

IUPACmethyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H14ClN3O4S/c1-13-6-12-9(8(13)11)19(16,17)14-5-3-4-7(14)10(15)18-2/h6-7H,3-5H2,1-2H3
InChIKeyBVBSPFZEKYHGSK-UHFFFAOYSA-N
MW307.76 g/mol
LogP0.40
Rot. Bonds3

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

methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylate (PubChem CID 43415551) has the molecular formula C10H14ClN3O4S and a molecular weight of 307.76 g/mol. Its IUPAC name is methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylate
PubChem CID43415551
Molecular FormulaC10H14ClN3O4S
Molecular Weight307.76 g/mol
Exact Mass307.04
IUPAC Namemethyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H14ClN3O4S/c1-13-6-12-9(8(13)11)19(16,17)14-5-3-4-7(14)10(15)18-2/h6-7H,3-5H2,1-2H3
InChIKeyBVBSPFZEKYHGSK-UHFFFAOYSA-N
XLogP0.40
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate
CID 61041426
1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide
CID 43415310
(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 35610424
(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide
CID 35329889
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 35298247
methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 2357927
methyl 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-2-carboxylate
CID 4990872
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
methyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate
CID 43423589
methyl 1-(3,5-difluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409906
methyl 1-(4-acetylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 3866930
methyl (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate;hydrofluoride
CID 144826687

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylate (CID 43415551) is methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylate is COC(=O)C1CCCN1S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylate?
The InChIKey is BVBSPFZEKYHGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O4S/c1-13-6-12-9(8(13)11)19(16,17)14-5-3-4-7(14)10(15)18-2/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylate?
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylate has a molecular weight of 307.76 g/mol, XLogP of 0.40, 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)sulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 43415551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).