methyl 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoate

C10H22N2O5S — CID 113293533

IUPACmethyl 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCC(C)(C)CO
InChIInChI=1S/C10H22N2O5S/c1-10(2,8-13)7-11-18(15,16)12(3)6-5-9(14)17-4/h11,13H,5-8H2,1-4H3
InChIKeyOYVXTGSIPQQFQW-UHFFFAOYSA-N
MW282.36 g/mol
LogP-0.67
Rot. Bonds8

About methyl 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoate

methyl 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoate (PubChem CID 113293533) has the molecular formula C10H22N2O5S and a molecular weight of 282.36 g/mol. Its IUPAC name is methyl 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoate
PubChem CID113293533
Molecular FormulaC10H22N2O5S
Molecular Weight282.36 g/mol
Exact Mass282.12
IUPAC Namemethyl 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCC(C)(C)CO
InChIInChI=1S/C10H22N2O5S/c1-10(2,8-13)7-11-18(15,16)12(3)6-5-9(14)17-4/h11,13H,5-8H2,1-4H3
InChIKeyOYVXTGSIPQQFQW-UHFFFAOYSA-N
XLogP-0.67
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoate?
The IUPAC name of methyl 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoate (CID 113293533) is methyl 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoate is COC(=O)CCN(C)S(=O)(=O)NCC(C)(C)CO.
What is the InChIKey of methyl 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoate?
The InChIKey is OYVXTGSIPQQFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O5S/c1-10(2,8-13)7-11-18(15,16)12(3)6-5-9(14)17-4/h11,13H,5-8H2,1-4H3.
What are the key properties of methyl 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoate?
methyl 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoate has a molecular weight of 282.36 g/mol, XLogP of -0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoate is sourced from PubChem (CID 113293533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).