methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate

C8H17NO5S — CID 62334087

IUPACmethyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C8H17NO5S/c1-7(10)6-9(2)15(12,13)5-4-8(11)14-3/h7,10H,4-6H2,1-3H3
InChIKeyZBCWNQYGOPQXQF-UHFFFAOYSA-N
MW239.29 g/mol
LogP-0.81
Rot. Bonds6

About methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate

methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate (PubChem CID 62334087) has the molecular formula C8H17NO5S and a molecular weight of 239.29 g/mol. Its IUPAC name is methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate
PubChem CID62334087
Molecular FormulaC8H17NO5S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC Namemethyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C8H17NO5S/c1-7(10)6-9(2)15(12,13)5-4-8(11)14-3/h7,10H,4-6H2,1-3H3
InChIKeyZBCWNQYGOPQXQF-UHFFFAOYSA-N
XLogP-0.81
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 55008563
methyl 4-[methyl(3-methylbutyl)sulfamoyl]butanoate
CID 55150539
4-[(3-methoxy-3-oxopropyl)sulfonyl-propan-2-ylamino]butanoic acid
CID 61458516
methyl 3-propan-2-ylsulfonylpropanoate
CID 60874578
N-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide
CID 103916497
methyl 3-(propan-2-ylsulfamoyl)propanoate
CID 64590435
methyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate
CID 63242882
4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide
CID 62333188
methyl 3-(3-hydroxybutylsulfamoyl)propanoate
CID 64912074
methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate
CID 55139195
methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate
CID 62735185
methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate
CID 62026208

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate?
The IUPAC name of methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate (CID 62334087) is methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate is COC(=O)CCS(=O)(=O)N(C)CC(C)O.
What is the InChIKey of methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate?
The InChIKey is ZBCWNQYGOPQXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S/c1-7(10)6-9(2)15(12,13)5-4-8(11)14-3/h7,10H,4-6H2,1-3H3.
What are the key properties of methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate?
methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate has a molecular weight of 239.29 g/mol, XLogP of -0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate is sourced from PubChem (CID 62334087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).