methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate

C13H25NO6S — CID 103343206

IUPACmethyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate
SMILESCCOC(CNS(=O)(=O)C1CCCC1C(=O)OC)OCC
InChIInChI=1S/C13H25NO6S/c1-4-19-12(20-5-2)9-14-21(16,17)11-8-6-7-10(11)13(15)18-3/h10-12,14H,4-9H2,1-3H3
InChIKeyUMLNYXDQYKORST-UHFFFAOYSA-N
MW323.41 g/mol
LogP0.65
Rot. Bonds9

About methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate

methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate (PubChem CID 103343206) has the molecular formula C13H25NO6S and a molecular weight of 323.41 g/mol. Its IUPAC name is methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate
PubChem CID103343206
Molecular FormulaC13H25NO6S
Molecular Weight323.41 g/mol
Exact Mass323.14
IUPAC Namemethyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate
SMILESCCOC(CNS(=O)(=O)C1CCCC1C(=O)OC)OCC
InChIInChI=1S/C13H25NO6S/c1-4-19-12(20-5-2)9-14-21(16,17)11-8-6-7-10(11)13(15)18-3/h10-12,14H,4-9H2,1-3H3
InChIKeyUMLNYXDQYKORST-UHFFFAOYSA-N
XLogP0.65
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-ethyl-4-hydroxybutyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343233
methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]cyclopentane-1-carboxylate
CID 106543941
trans-methyl (1R,2S)-2-(2-ethoxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 99794576
methyl 2-(2-hydroxyethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342396
methyl 2-[(4-ethoxy-4-oxobutyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343105
methyl 2-(2-cyanopropylsulfamoyl)cyclohexane-1-carboxylate
CID 75455830
2-[[(2-methoxycarbonylcyclohexyl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660593
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
methyl 2-(2-cyclopropylethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343145
methyl 2-(dicyclopropylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342807
methyl 2-(cyclooctylsulfamoyl)cyclopentane-1-carboxylate
CID 103342256
methyl 2-(1-hydroxypropan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342399

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate (CID 103343206) is methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate is CCOC(CNS(=O)(=O)C1CCCC1C(=O)OC)OCC.
What is the InChIKey of methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate?
The InChIKey is UMLNYXDQYKORST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO6S/c1-4-19-12(20-5-2)9-14-21(16,17)11-8-6-7-10(11)13(15)18-3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate?
methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate has a molecular weight of 323.41 g/mol, XLogP of 0.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-diethoxyethylsulfamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 103343206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).