ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate

C15H22N2O4S — CID 119980917

IUPACethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NC2(CN)CCCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-2-21-14(18)12-5-7-13(8-6-12)22(19,20)17-15(11-16)9-3-4-10-15/h5-8,17H,2-4,9-11,16H2,1H3
InChIKeyQYAIRBASOZVLRH-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.41
Rot. Bonds6

About ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate

ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate (PubChem CID 119980917) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate
PubChem CID119980917
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Nameethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NC2(CN)CCCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-2-21-14(18)12-5-7-13(8-6-12)22(19,20)17-15(11-16)9-3-4-10-15/h5-8,17H,2-4,9-11,16H2,1H3
InChIKeyQYAIRBASOZVLRH-UHFFFAOYSA-N
XLogP1.41
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 120875134
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145
4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119980966
N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide
CID 28941372
4-N-[1-(aminomethyl)cyclopentyl]-1-N-cyclopropylbenzene-1,4-disulfonamide;hydrochloride
CID 119980930
ethyl 4-[(1-amino-2-methylpropan-2-yl)sulfamoyl]benzoate;hydrochloride
CID 119975673
3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide
CID 63889591
4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzamide
CID 62522485
N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide
CID 119981024
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide
CID 119567918
ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate
CID 65192667

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate (CID 119980917) is ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)NC2(CN)CCCC2)cc1.
What is the InChIKey of ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate?
The InChIKey is QYAIRBASOZVLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-21-14(18)12-5-7-13(8-6-12)22(19,20)17-15(11-16)9-3-4-10-15/h5-8,17H,2-4,9-11,16H2,1H3.
What are the key properties of ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate?
ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate has a molecular weight of 326.42 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate is sourced from PubChem (CID 119980917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).