methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate

C10H19NO6S — CID 103848177

IUPACmethyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCC1(O)CCOC1
InChIInChI=1S/C10H19NO6S/c1-16-9(12)3-2-6-18(14,15)11-7-10(13)4-5-17-8-10/h11,13H,2-8H2,1H3
InChIKeyMPGFFBQNDSHQRX-UHFFFAOYSA-N
MW281.33 g/mol
LogP-0.99
Rot. Bonds7

About methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate

methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate (PubChem CID 103848177) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate
PubChem CID103848177
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Namemethyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCC1(O)CCOC1
InChIInChI=1S/C10H19NO6S/c1-16-9(12)3-2-6-18(14,15)11-7-10(13)4-5-17-8-10/h11,13H,2-8H2,1H3
InChIKeyMPGFFBQNDSHQRX-UHFFFAOYSA-N
XLogP-0.99
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(1-hydroxycyclohexyl)methylsulfamoyl]butanoate
CID 65105198
methyl 4-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]butanoate
CID 107271038
methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]butanoate
CID 61457714
methyl 2-(3-hydroxyoxolan-3-yl)acetate
CID 115012540
3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol
CID 106102940
methyl 3-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 103848035
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 103848152
methyl 3-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]propanoate
CID 65121496
methyl 4-(3-methylsulfonylpropylsulfamoyl)butanoate
CID 54951863
3-(3-methylsulfonylpropyl)oxolan-3-ol
CID 65145889
methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate
CID 115902866
N-[(3-hydroxyoxolan-3-yl)methyl]morpholine-4-sulfonamide
CID 103848126

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate?
The IUPAC name of methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate (CID 103848177) is methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NCC1(O)CCOC1.
What is the InChIKey of methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate?
The InChIKey is MPGFFBQNDSHQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-16-9(12)3-2-6-18(14,15)11-7-10(13)4-5-17-8-10/h11,13H,2-8H2,1H3.
What are the key properties of methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate?
methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate has a molecular weight of 281.33 g/mol, XLogP of -0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate is sourced from PubChem (CID 103848177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).