methyl 3-(3-hydroxybutylsulfamoyl)propanoate

C8H17NO5S — CID 64912074

IUPACmethyl 3-(3-hydroxybutylsulfamoyl)propanoate
SMILESCOC(=O)CCS(=O)(=O)NCCC(C)O
InChIInChI=1S/C8H17NO5S/c1-7(10)3-5-9-15(12,13)6-4-8(11)14-2/h7,9-10H,3-6H2,1-2H3
InChIKeyHWSMGWXBFKMPBD-UHFFFAOYSA-N
MW239.29 g/mol
LogP-0.76
Rot. Bonds7

About methyl 3-(3-hydroxybutylsulfamoyl)propanoate

methyl 3-(3-hydroxybutylsulfamoyl)propanoate (PubChem CID 64912074) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is methyl 3-(3-hydroxybutylsulfamoyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-hydroxybutylsulfamoyl)propanoate
PubChem CID64912074
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC Namemethyl 3-(3-hydroxybutylsulfamoyl)propanoate
SMILESCOC(=O)CCS(=O)(=O)NCCC(C)O
InChIInChI=1S/C8H17NO5S/c1-7(10)3-5-9-15(12,13)6-4-8(11)14-2/h7,9-10H,3-6H2,1-2H3
InChIKeyHWSMGWXBFKMPBD-UHFFFAOYSA-N
XLogP-0.76
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxybutyl)-2-methylsulfonylethanesulfonamide
CID 64911861
N-(3-hydroxybutyl)propane-1-sulfonamide
CID 64723570
4-(3-hydroxybutylsulfamoyl)butanoic acid
CID 64928300
methyl 3-(2-methoxypropylsulfamoyl)propanoate
CID 102697663
methyl 3-(propan-2-ylsulfamoyl)propanoate
CID 64590435
(2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 107835237
methyl 4-(3-methylsulfonylpropylsulfamoyl)butanoate
CID 54951863
methyl 3-(2-methylpropylsulfonylamino)propanoate
CID 62733313
methyl 4-[3-(propan-2-ylamino)propylsulfamoyl]butanoate
CID 54952218
methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate
CID 61458394
methyl 6-[(3-ethoxy-3-oxopropyl)sulfonylamino]hexanoate
CID 61459374
methyl 3-propan-2-ylsulfonylpropanoate
CID 60874578

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-hydroxybutylsulfamoyl)propanoate?
The IUPAC name of methyl 3-(3-hydroxybutylsulfamoyl)propanoate (CID 64912074) is methyl 3-(3-hydroxybutylsulfamoyl)propanoate.
What is the SMILES notation for methyl 3-(3-hydroxybutylsulfamoyl)propanoate?
The canonical SMILES for methyl 3-(3-hydroxybutylsulfamoyl)propanoate is COC(=O)CCS(=O)(=O)NCCC(C)O.
What is the InChIKey of methyl 3-(3-hydroxybutylsulfamoyl)propanoate?
The InChIKey is HWSMGWXBFKMPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S/c1-7(10)3-5-9-15(12,13)6-4-8(11)14-2/h7,9-10H,3-6H2,1-2H3.
What are the key properties of methyl 3-(3-hydroxybutylsulfamoyl)propanoate?
methyl 3-(3-hydroxybutylsulfamoyl)propanoate has a molecular weight of 239.29 g/mol, XLogP of -0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-hydroxybutylsulfamoyl)propanoate is sourced from PubChem (CID 64912074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).