2-amino-4-[2-(dimethylamino)ethylsulfamoyl]butanoic acid

C8H19N3O4S — CID 87289706

IUPAC2-amino-4-[2-(dimethylamino)ethylsulfamoyl]butanoic acid
SMILESCN(C)CCNS(=O)(=O)CCC(N)C(=O)O
InChIInChI=1S/C8H19N3O4S/c1-11(2)5-4-10-16(14,15)6-3-7(9)8(12)13/h7,10H,3-6,9H2,1-2H3,(H,12,13)
InChIKeyWDROMQFJLHMQLI-UHFFFAOYSA-N
MW253.32 g/mol
LogP-1.73
Rot. Bonds8

About 2-amino-4-[2-(dimethylamino)ethylsulfamoyl]butanoic acid

2-amino-4-[2-(dimethylamino)ethylsulfamoyl]butanoic acid (PubChem CID 87289706) has the molecular formula C8H19N3O4S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-amino-4-[2-(dimethylamino)ethylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[2-(dimethylamino)ethylsulfamoyl]butanoic acid
PubChem CID87289706
Molecular FormulaC8H19N3O4S
Molecular Weight253.32 g/mol
Exact Mass253.11
IUPAC Name2-amino-4-[2-(dimethylamino)ethylsulfamoyl]butanoic acid
SMILESCN(C)CCNS(=O)(=O)CCC(N)C(=O)O
InChIInChI=1S/C8H19N3O4S/c1-11(2)5-4-10-16(14,15)6-3-7(9)8(12)13/h7,10H,3-6,9H2,1-2H3,(H,12,13)
InChIKeyWDROMQFJLHMQLI-UHFFFAOYSA-N
XLogP-1.73
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(dimethylamino)ethylsulfamoyl]butanoic acid?
The IUPAC name of 2-amino-4-[2-(dimethylamino)ethylsulfamoyl]butanoic acid (CID 87289706) is 2-amino-4-[2-(dimethylamino)ethylsulfamoyl]butanoic acid.
What is the SMILES notation for 2-amino-4-[2-(dimethylamino)ethylsulfamoyl]butanoic acid?
The canonical SMILES for 2-amino-4-[2-(dimethylamino)ethylsulfamoyl]butanoic acid is CN(C)CCNS(=O)(=O)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[2-(dimethylamino)ethylsulfamoyl]butanoic acid?
The InChIKey is WDROMQFJLHMQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O4S/c1-11(2)5-4-10-16(14,15)6-3-7(9)8(12)13/h7,10H,3-6,9H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-4-[2-(dimethylamino)ethylsulfamoyl]butanoic acid?
2-amino-4-[2-(dimethylamino)ethylsulfamoyl]butanoic acid has a molecular weight of 253.32 g/mol, XLogP of -1.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(dimethylamino)ethylsulfamoyl]butanoic acid is sourced from PubChem (CID 87289706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).