methyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate

C13H18N2O4S — CID 103342276

IUPACmethyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N(C)c1ccccn1
InChIInChI=1S/C13H18N2O4S/c1-15(12-8-3-4-9-14-12)20(17,18)11-7-5-6-10(11)13(16)19-2/h3-4,8-11H,5-7H2,1-2H3
InChIKeyGACZRRZVHWOLAE-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.19
Rot. Bonds4

About methyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103342276) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is methyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103342276
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Namemethyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N(C)c1ccccn1
InChIInChI=1S/C13H18N2O4S/c1-15(12-8-3-4-9-14-12)20(17,18)11-7-5-6-10(11)13(16)19-2/h3-4,8-11H,5-7H2,1-2H3
InChIKeyGACZRRZVHWOLAE-UHFFFAOYSA-N
XLogP1.19
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342275
methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342230
methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343467
cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate
CID 100602479
methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342142
methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342175
methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103342854
methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342191
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182
trans-methyl (1R,2S)-2-chlorosulfonylcyclopentane-1-carboxylate
CID 98115809
methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342294
methyl 2-pyridin-2-ylcyclopropane-1-carboxylate
CID 91647742

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate (CID 103342276) is methyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)N(C)c1ccccn1.
What is the InChIKey of methyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is GACZRRZVHWOLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-15(12-8-3-4-9-14-12)20(17,18)11-7-5-6-10(11)13(16)19-2/h3-4,8-11H,5-7H2,1-2H3.
What are the key properties of methyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 298.36 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103342276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).