methyl 4-[(4-ethylcyclohexyl)methylsulfamoyl]butanoate

C14H27NO4S — CID 61460268

IUPACmethyl 4-[(4-ethylcyclohexyl)methylsulfamoyl]butanoate
SMILESCCC1CCC(CNS(=O)(=O)CCCC(=O)OC)CC1
InChIInChI=1S/C14H27NO4S/c1-3-12-6-8-13(9-7-12)11-15-20(17,18)10-4-5-14(16)19-2/h12-13,15H,3-11H2,1-2H3
InChIKeyAYSGDEONTPOGHW-UHFFFAOYSA-N
MW305.44 g/mol
LogP2.08
Rot. Bonds8

About methyl 4-[(4-ethylcyclohexyl)methylsulfamoyl]butanoate

methyl 4-[(4-ethylcyclohexyl)methylsulfamoyl]butanoate (PubChem CID 61460268) has the molecular formula C14H27NO4S and a molecular weight of 305.44 g/mol. Its IUPAC name is methyl 4-[(4-ethylcyclohexyl)methylsulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(4-ethylcyclohexyl)methylsulfamoyl]butanoate
PubChem CID61460268
Molecular FormulaC14H27NO4S
Molecular Weight305.44 g/mol
Exact Mass305.17
IUPAC Namemethyl 4-[(4-ethylcyclohexyl)methylsulfamoyl]butanoate
SMILESCCC1CCC(CNS(=O)(=O)CCCC(=O)OC)CC1
InChIInChI=1S/C14H27NO4S/c1-3-12-6-8-13(9-7-12)11-15-20(17,18)10-4-5-14(16)19-2/h12-13,15H,3-11H2,1-2H3
InChIKeyAYSGDEONTPOGHW-UHFFFAOYSA-N
XLogP2.08
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-ethylcyclohexyl)methylsulfamoyl]butanoate?
The IUPAC name of methyl 4-[(4-ethylcyclohexyl)methylsulfamoyl]butanoate (CID 61460268) is methyl 4-[(4-ethylcyclohexyl)methylsulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(4-ethylcyclohexyl)methylsulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(4-ethylcyclohexyl)methylsulfamoyl]butanoate is CCC1CCC(CNS(=O)(=O)CCCC(=O)OC)CC1.
What is the InChIKey of methyl 4-[(4-ethylcyclohexyl)methylsulfamoyl]butanoate?
The InChIKey is AYSGDEONTPOGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4S/c1-3-12-6-8-13(9-7-12)11-15-20(17,18)10-4-5-14(16)19-2/h12-13,15H,3-11H2,1-2H3.
What are the key properties of methyl 4-[(4-ethylcyclohexyl)methylsulfamoyl]butanoate?
methyl 4-[(4-ethylcyclohexyl)methylsulfamoyl]butanoate has a molecular weight of 305.44 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-ethylcyclohexyl)methylsulfamoyl]butanoate is sourced from PubChem (CID 61460268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).