methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate

C14H24N2O4S — CID 103342193

IUPACmethyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NC1CN2CCC1CC2
InChIInChI=1S/C14H24N2O4S/c1-20-14(17)11-3-2-4-13(11)21(18,19)15-12-9-16-7-5-10(12)6-8-16/h10-13,15H,2-9H2,1H3
InChIKeyZJYBQCUBJHFFQN-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.34
Rot. Bonds4

About methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate

methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate (PubChem CID 103342193) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate
PubChem CID103342193
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Namemethyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NC1CN2CCC1CC2
InChIInChI=1S/C14H24N2O4S/c1-20-14(17)11-3-2-4-13(11)21(18,19)15-12-9-16-7-5-10(12)6-8-16/h10-13,15H,2-9H2,1H3
InChIKeyZJYBQCUBJHFFQN-UHFFFAOYSA-N
XLogP0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-hydroxycycloheptyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343368
methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate
CID 103342256
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
methyl 2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylcyclopentane-1-carboxylate
CID 103343391
methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342807
trans-methyl (1R,2S)-2-chlorosulfonylcyclopentane-1-carboxylate
CID 98115809
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182
methyl 2-(1-hydroxypropan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342399
methyl 2-(3-aminopyrrolidin-1-yl)sulfonylcyclohexane-1-carboxylate
CID 120874816
methyl 2-(2-piperidin-1-ylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342813
methyl 2-[[(3R)-piperidin-3-yl]sulfamoyl]cyclohexane-1-carboxylate
CID 120876444
methyl 2-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 106543946

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate (CID 103342193) is methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NC1CN2CCC1CC2.
What is the InChIKey of methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate?
The InChIKey is ZJYBQCUBJHFFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-20-14(17)11-3-2-4-13(11)21(18,19)15-12-9-16-7-5-10(12)6-8-16/h10-13,15H,2-9H2,1H3.
What are the key properties of methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate?
methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate has a molecular weight of 316.42 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 103342193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).