methyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate

C12H22N2O5S — CID 66212712

IUPACmethyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C12H22N2O5S/c1-18-9(15)5-3-7-20(16,17)14-11-10(13)8-4-2-6-19-12(8)11/h8,10-12,14H,2-7,13H2,1H3
InChIKeyHBFFGOILOGNQSQ-UHFFFAOYSA-N
MW306.38 g/mol
LogP-0.64
Rot. Bonds6

About methyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate

methyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate (PubChem CID 66212712) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is methyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate
PubChem CID66212712
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Namemethyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1C(N)C2CCCOC21
InChIInChI=1S/C12H22N2O5S/c1-18-9(15)5-3-7-20(16,17)14-11-10(13)8-4-2-6-19-12(8)11/h8,10-12,14H,2-7,13H2,1H3
InChIKeyHBFFGOILOGNQSQ-UHFFFAOYSA-N
XLogP-0.64
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate with MolForge

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Related Compounds

methyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate
CID 66195757
methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate
CID 54952583
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1-cyanomethanesulfonamide
CID 66212129
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)propane-2-sulfonamide
CID 66211739
7-amino-8-(dipropylsulfamoylamino)-2-oxabicyclo[4.2.0]octane
CID 66212326
methyl 4-(oxolan-3-ylsulfamoyl)butanoate
CID 80716402
methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate
CID 113346278
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyclopentylpropanamide
CID 66213463
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide
CID 113422273
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide
CID 66197692
methyl 4-[(2-carbamothioylcyclopentyl)sulfamoyl]butanoate
CID 62957123
methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate
CID 115881165

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate (CID 66212712) is methyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NC1C(N)C2CCCOC21.
What is the InChIKey of methyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate?
The InChIKey is HBFFGOILOGNQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-18-9(15)5-3-7-20(16,17)14-11-10(13)8-4-2-6-19-12(8)11/h8,10-12,14H,2-7,13H2,1H3.
What are the key properties of methyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate?
methyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate has a molecular weight of 306.38 g/mol, XLogP of -0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate is sourced from PubChem (CID 66212712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).