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

C12H16N2O4S — CID 103342142

IUPACmethyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1ccncc1
InChIInChI=1S/C12H16N2O4S/c1-18-12(15)10-3-2-4-11(10)19(16,17)14-9-5-7-13-8-6-9/h5-8,10-11H,2-4H2,1H3,(H,13,14)
InChIKeyGBDHVSPGKAOPOF-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.16
Rot. Bonds4

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

methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate (PubChem CID 103342142) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate
PubChem CID103342142
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Namemethyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1ccncc1
InChIInChI=1S/C12H16N2O4S/c1-18-12(15)10-3-2-4-11(10)19(16,17)14-9-5-7-13-8-6-9/h5-8,10-11H,2-4H2,1H3,(H,13,14)
InChIKeyGBDHVSPGKAOPOF-UHFFFAOYSA-N
XLogP1.16
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342250
methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342294
methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103343173
methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342272
methyl 2-[(6-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342271
methyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343319
methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342191
methyl 2-[(5-bromo-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342296
methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342269
methyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343401
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343259

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate (CID 103342142) is methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)Nc1ccncc1.
What is the InChIKey of methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate?
The InChIKey is GBDHVSPGKAOPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-18-12(15)10-3-2-4-11(10)19(16,17)14-9-5-7-13-8-6-9/h5-8,10-11H,2-4H2,1H3,(H,13,14).
What are the key properties of methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate?
methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate has a molecular weight of 284.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 103342142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).