methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate

C15H21NO4S — CID 103342230

IUPACmethyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H21NO4S/c1-16(11-12-7-4-3-5-8-12)21(18,19)14-10-6-9-13(14)15(17)20-2/h3-5,7-8,13-14H,6,9-11H2,1-2H3
InChIKeyLDQVEDCOKONFGY-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.79
Rot. Bonds5

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

methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103342230) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103342230
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Namemethyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H21NO4S/c1-16(11-12-7-4-3-5-8-12)21(18,19)14-10-6-9-13(14)15(17)20-2/h3-5,7-8,13-14H,6,9-11H2,1-2H3
InChIKeyLDQVEDCOKONFGY-UHFFFAOYSA-N
XLogP1.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103342854
methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343093
methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343467
2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342290
cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate
CID 100602479
methyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342276
methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103343240
2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342452
(2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid
CID 122069343
methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate
CID 120875523
2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342818
methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342175

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103342230) is methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is LDQVEDCOKONFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-16(11-12-7-4-3-5-8-12)21(18,19)14-10-6-9-13(14)15(17)20-2/h3-5,7-8,13-14H,6,9-11H2,1-2H3.
What are the key properties of methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 311.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103342230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).