methyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate

C13H23NO6S — CID 103343105

IUPACmethyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)CCCNS(=O)(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C13H23NO6S/c1-3-20-12(15)8-5-9-14-21(17,18)11-7-4-6-10(11)13(16)19-2/h10-11,14H,3-9H2,1-2H3
InChIKeyPBQQPZDLTCWSAO-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.59
Rot. Bonds8

About methyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103343105) has the molecular formula C13H23NO6S and a molecular weight of 321.40 g/mol. Its IUPAC name is methyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103343105
Molecular FormulaC13H23NO6S
Molecular Weight321.40 g/mol
Exact Mass321.12
IUPAC Namemethyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)CCCNS(=O)(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C13H23NO6S/c1-3-20-12(15)8-5-9-14-21(17,18)11-7-4-6-10(11)13(16)19-2/h10-11,14H,3-9H2,1-2H3
InChIKeyPBQQPZDLTCWSAO-UHFFFAOYSA-N
XLogP0.59
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 99794576
methyl 2-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342396
methyl 2-(2-cyclopropylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343145
methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343206
methyl 2-(2-piperidin-1-ylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342813
methyl 2-(2-morpholin-4-ylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342202
methyl 2-[(1-aminocycloheptyl)methylsulfamoyl]cyclohexane-1-carboxylate
CID 120875669
ethyl 4-(cyclopropylmethylsulfonylamino)butanoate
CID 64988986
methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343233
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342807
methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]cyclopentane-1-carboxylate
CID 106543941

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103343105) is methyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate is CCOC(=O)CCCNS(=O)(=O)C1CCCC1C(=O)OC.
What is the InChIKey of methyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is PBQQPZDLTCWSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO6S/c1-3-20-12(15)8-5-9-14-21(17,18)11-7-4-6-10(11)13(16)19-2/h10-11,14H,3-9H2,1-2H3.
What are the key properties of methyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 321.40 g/mol, XLogP of 0.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103343105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).