methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate

C11H21NO5S — CID 113346278

IUPACmethyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1CCOC(C)C1
InChIInChI=1S/C11H21NO5S/c1-9-8-10(5-6-17-9)12-18(14,15)7-3-4-11(13)16-2/h9-10,12H,3-8H2,1-2H3
InChIKeyXPWZVLUBGUNBLW-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.43
Rot. Bonds6

About methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate

methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate (PubChem CID 113346278) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate
PubChem CID113346278
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Namemethyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1CCOC(C)C1
InChIInChI=1S/C11H21NO5S/c1-9-8-10(5-6-17-9)12-18(14,15)7-3-4-11(13)16-2/h9-10,12H,3-8H2,1-2H3
InChIKeyXPWZVLUBGUNBLW-UHFFFAOYSA-N
XLogP0.43
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(oxolan-3-ylsulfamoyl)butanoate
CID 80716402
methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate
CID 54952583
N-(2-methyloxan-4-yl)ethanesulfonamide
CID 103887605
4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide
CID 114142692
methyl 4-[(3-methylsulfanylcyclopentyl)sulfamoyl]butanoate
CID 103697953
methyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate
CID 66195757
methyl 4-[(3,3-dimethylcyclopentyl)sulfamoyl]butanoate
CID 115881165
2-methyl-4-(sulfamoylamino)oxane
CID 103887477
methyl 4-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]butanoate
CID 115919099
methyl 4-[(1-tert-butylpiperidin-4-yl)sulfamoyl]butanoate
CID 61460468
methyl 4-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)sulfamoyl]butanoate
CID 66212712
methyl 4-[(1-ethylpiperidin-3-yl)sulfamoyl]butanoate
CID 61460228

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate (CID 113346278) is methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NC1CCOC(C)C1.
What is the InChIKey of methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate?
The InChIKey is XPWZVLUBGUNBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-9-8-10(5-6-17-9)12-18(14,15)7-3-4-11(13)16-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate?
methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate has a molecular weight of 279.36 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate is sourced from PubChem (CID 113346278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).