ethyl 1-(2-sulfamoylethyl)cyclohexane-1-carboxylate

C11H21NO4S — CID 18988135

IUPACethyl 1-(2-sulfamoylethyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(CCS(N)(=O)=O)CCCCC1
InChIInChI=1S/C11H21NO4S/c1-2-16-10(13)11(6-4-3-5-7-11)8-9-17(12,14)15/h2-9H2,1H3,(H2,12,14,15)
InChIKeyZNADOXBUSIVHIZ-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.18
Rot. Bonds5

About ethyl 1-(2-sulfamoylethyl)cyclohexane-1-carboxylate

ethyl 1-(2-sulfamoylethyl)cyclohexane-1-carboxylate (PubChem CID 18988135) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is ethyl 1-(2-sulfamoylethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-sulfamoylethyl)cyclohexane-1-carboxylate
PubChem CID18988135
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Nameethyl 1-(2-sulfamoylethyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(CCS(N)(=O)=O)CCCCC1
InChIInChI=1S/C11H21NO4S/c1-2-16-10(13)11(6-4-3-5-7-11)8-9-17(12,14)15/h2-9H2,1H3,(H2,12,14,15)
InChIKeyZNADOXBUSIVHIZ-UHFFFAOYSA-N
XLogP1.18
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-sulfamoylethyl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(2-sulfamoylethyl)cyclohexane-1-carboxylate (CID 18988135) is ethyl 1-(2-sulfamoylethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(2-sulfamoylethyl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(2-sulfamoylethyl)cyclohexane-1-carboxylate is CCOC(=O)C1(CCS(N)(=O)=O)CCCCC1.
What is the InChIKey of ethyl 1-(2-sulfamoylethyl)cyclohexane-1-carboxylate?
The InChIKey is ZNADOXBUSIVHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-2-16-10(13)11(6-4-3-5-7-11)8-9-17(12,14)15/h2-9H2,1H3,(H2,12,14,15).
What are the key properties of ethyl 1-(2-sulfamoylethyl)cyclohexane-1-carboxylate?
ethyl 1-(2-sulfamoylethyl)cyclohexane-1-carboxylate has a molecular weight of 263.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-sulfamoylethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 18988135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).