methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate

C13H18N2O4S — CID 103342294

IUPACmethyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCc1ccncc1
InChIInChI=1S/C13H18N2O4S/c1-19-13(16)11-3-2-4-12(11)20(17,18)15-9-10-5-7-14-8-6-10/h5-8,11-12,15H,2-4,9H2,1H3
InChIKeyPJIDMKRMEWKKBQ-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.84
Rot. Bonds5

About methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate

methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate (PubChem CID 103342294) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate
PubChem CID103342294
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Namemethyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCc1ccncc1
InChIInChI=1S/C13H18N2O4S/c1-19-13(16)11-3-2-4-12(11)20(17,18)15-9-10-5-7-14-8-6-10/h5-8,11-12,15H,2-4,9H2,1H3
InChIKeyPJIDMKRMEWKKBQ-UHFFFAOYSA-N
XLogP0.84
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate
CID 103342542
methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342142
methyl 2-(1,2-oxazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 114094411
methyl 2-[(1-methylimidazol-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate
CID 103342994
methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate
CID 103342929
methyl 2-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342396
methyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342859
methyl 2-(2-cyclopropylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343145
(2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid
CID 122069343
trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 99794576
methyl 2-(2-piperidin-1-ylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342813
methyl 2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]cyclopentane-1-carboxylate
CID 103342714

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate (CID 103342294) is methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NCc1ccncc1.
What is the InChIKey of methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate?
The InChIKey is PJIDMKRMEWKKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-19-13(16)11-3-2-4-12(11)20(17,18)15-9-10-5-7-14-8-6-10/h5-8,11-12,15H,2-4,9H2,1H3.
What are the key properties of methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate?
methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate has a molecular weight of 298.36 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 103342294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).