methyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate

C12H19N3O4S — CID 103342994

IUPACmethyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCc1nccn1C
InChIInChI=1S/C12H19N3O4S/c1-15-7-6-13-11(15)8-14-20(17,18)10-5-3-4-9(10)12(16)19-2/h6-7,9-10,14H,3-5,8H2,1-2H3
InChIKeyBPYWDGLIYBQSOK-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.18
Rot. Bonds5

About methyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate

methyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103342994) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is methyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate
PubChem CID103342994
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Namemethyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCc1nccn1C
InChIInChI=1S/C12H19N3O4S/c1-15-7-6-13-11(15)8-14-20(17,18)10-5-3-4-9(10)12(16)19-2/h6-7,9-10,14H,3-5,8H2,1-2H3
InChIKeyBPYWDGLIYBQSOK-UHFFFAOYSA-N
XLogP0.18
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(1,2-oxazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 114094411
methyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342859
methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate
CID 103342929
2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342672
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
2-[(1-methylimidazol-2-yl)methylsulfamoyl]propanoic acid
CID 63293623
methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342272
methyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343401
N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 63000677
4-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-1-sulfonamide
CID 106062465
2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 63293807

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate (CID 103342994) is methyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NCc1nccn1C.
What is the InChIKey of methyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is BPYWDGLIYBQSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-15-7-6-13-11(15)8-14-20(17,18)10-5-3-4-9(10)12(16)19-2/h6-7,9-10,14H,3-5,8H2,1-2H3.
What are the key properties of methyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 301.37 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103342994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).