methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate

C11H21NO5S — CID 54952583

IUPACmethyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C11H21NO5S/c1-17-11(14)3-2-8-18(15,16)12-9-4-6-10(13)7-5-9/h9-10,12-13H,2-8H2,1H3
InChIKeyDGSZTERRYJFMAD-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.16
Rot. Bonds6

About methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate

methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate (PubChem CID 54952583) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate
PubChem CID54952583
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Namemethyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C11H21NO5S/c1-17-11(14)3-2-8-18(15,16)12-9-4-6-10(13)7-5-9/h9-10,12-13H,2-8H2,1H3
InChIKeyDGSZTERRYJFMAD-UHFFFAOYSA-N
XLogP0.16
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate (CID 54952583) is methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NC1CCC(O)CC1.
What is the InChIKey of methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate?
The InChIKey is DGSZTERRYJFMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-17-11(14)3-2-8-18(15,16)12-9-4-6-10(13)7-5-9/h9-10,12-13H,2-8H2,1H3.
What are the key properties of methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate?
methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate has a molecular weight of 279.36 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate is sourced from PubChem (CID 54952583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).