methyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate

C15H21NO4S — CID 103342542

IUPACmethyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCc1cccc(C)c1
InChIInChI=1S/C15H21NO4S/c1-11-5-3-6-12(9-11)10-16-21(18,19)14-8-4-7-13(14)15(17)20-2/h3,5-6,9,13-14,16H,4,7-8,10H2,1-2H3
InChIKeyAFAJTYAACDUFSA-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.76
Rot. Bonds5

About methyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate

methyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103342542) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is methyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate
PubChem CID103342542
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Namemethyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCc1cccc(C)c1
InChIInChI=1S/C15H21NO4S/c1-11-5-3-6-12(9-11)10-16-21(18,19)14-8-4-7-13(14)15(17)20-2/h3,5-6,9,13-14,16H,4,7-8,10H2,1-2H3
InChIKeyAFAJTYAACDUFSA-UHFFFAOYSA-N
XLogP1.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342294
methyl 2-[(5-methylfuran-2-yl)methylsulfamoyl]cyclopentane-1-carboxylate
CID 103342929
N-[(3-methylphenyl)methyl]cyclopropanesulfonamide
CID 118928947
methyl 2-(2-cyclopropylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343145
methyl 2-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342396
methyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342859
methyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343319
trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 99794576
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342191
methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342230
methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342269

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate (CID 103342542) is methyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NCc1cccc(C)c1.
What is the InChIKey of methyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is AFAJTYAACDUFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-11-5-3-6-12(9-11)10-16-21(18,19)14-8-4-7-13(14)15(17)20-2/h3,5-6,9,13-14,16H,4,7-8,10H2,1-2H3.
What are the key properties of methyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 311.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103342542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).