2-[3-(dimethylamino)propyl-methylsulfamoyl]acetic acid

C8H18N2O4S — CID 63694307

IUPAC2-[3-(dimethylamino)propyl-methylsulfamoyl]acetic acid
SMILESCN(C)CCCN(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-9(2)5-4-6-10(3)15(13,14)7-8(11)12/h4-7H2,1-3H3,(H,11,12)
InChIKeyRMOUEFIPKTZNQL-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.72
Rot. Bonds7

About 2-[3-(dimethylamino)propyl-methylsulfamoyl]acetic acid

2-[3-(dimethylamino)propyl-methylsulfamoyl]acetic acid (PubChem CID 63694307) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-methylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-methylsulfamoyl]acetic acid
PubChem CID63694307
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name2-[3-(dimethylamino)propyl-methylsulfamoyl]acetic acid
SMILESCN(C)CCCN(C)S(=O)(=O)CC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-9(2)5-4-6-10(3)15(13,14)7-8(11)12/h4-7H2,1-3H3,(H,11,12)
InChIKeyRMOUEFIPKTZNQL-UHFFFAOYSA-N
XLogP-0.72
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-methylsulfamoyl]acetic acid?
The IUPAC name of 2-[3-(dimethylamino)propyl-methylsulfamoyl]acetic acid (CID 63694307) is 2-[3-(dimethylamino)propyl-methylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-methylsulfamoyl]acetic acid?
The canonical SMILES for 2-[3-(dimethylamino)propyl-methylsulfamoyl]acetic acid is CN(C)CCCN(C)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[3-(dimethylamino)propyl-methylsulfamoyl]acetic acid?
The InChIKey is RMOUEFIPKTZNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-9(2)5-4-6-10(3)15(13,14)7-8(11)12/h4-7H2,1-3H3,(H,11,12).
What are the key properties of 2-[3-(dimethylamino)propyl-methylsulfamoyl]acetic acid?
2-[3-(dimethylamino)propyl-methylsulfamoyl]acetic acid has a molecular weight of 238.31 g/mol, XLogP of -0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-methylsulfamoyl]acetic acid is sourced from PubChem (CID 63694307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).