2-amino-4-[2-(dimethylamino)ethyl-methylsulfamoyl]butanoic acid

C9H21N3O4S — CID 89124296

IUPAC2-amino-4-[2-(dimethylamino)ethyl-methylsulfamoyl]butanoic acid
SMILESCN(C)CCN(C)S(=O)(=O)CCC(N)C(=O)O
InChIInChI=1S/C9H21N3O4S/c1-11(2)5-6-12(3)17(15,16)7-4-8(10)9(13)14/h8H,4-7,10H2,1-3H3,(H,13,14)
InChIKeyBDHFPMSHIQYNMR-UHFFFAOYSA-N
MW267.35 g/mol
LogP-1.39
Rot. Bonds8

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

2-amino-4-[2-(dimethylamino)ethyl-methylsulfamoyl]butanoic acid (PubChem CID 89124296) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-amino-4-[2-(dimethylamino)ethyl-methylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[2-(dimethylamino)ethyl-methylsulfamoyl]butanoic acid
PubChem CID89124296
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC Name2-amino-4-[2-(dimethylamino)ethyl-methylsulfamoyl]butanoic acid
SMILESCN(C)CCN(C)S(=O)(=O)CCC(N)C(=O)O
InChIInChI=1S/C9H21N3O4S/c1-11(2)5-6-12(3)17(15,16)7-4-8(10)9(13)14/h8H,4-7,10H2,1-3H3,(H,13,14)
InChIKeyBDHFPMSHIQYNMR-UHFFFAOYSA-N
XLogP-1.39
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(dimethylamino)ethyl-methylsulfamoyl]butanoic acid?
The IUPAC name of 2-amino-4-[2-(dimethylamino)ethyl-methylsulfamoyl]butanoic acid (CID 89124296) is 2-amino-4-[2-(dimethylamino)ethyl-methylsulfamoyl]butanoic acid.
What is the SMILES notation for 2-amino-4-[2-(dimethylamino)ethyl-methylsulfamoyl]butanoic acid?
The canonical SMILES for 2-amino-4-[2-(dimethylamino)ethyl-methylsulfamoyl]butanoic acid is CN(C)CCN(C)S(=O)(=O)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[2-(dimethylamino)ethyl-methylsulfamoyl]butanoic acid?
The InChIKey is BDHFPMSHIQYNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S/c1-11(2)5-6-12(3)17(15,16)7-4-8(10)9(13)14/h8H,4-7,10H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-4-[2-(dimethylamino)ethyl-methylsulfamoyl]butanoic acid?
2-amino-4-[2-(dimethylamino)ethyl-methylsulfamoyl]butanoic acid has a molecular weight of 267.35 g/mol, XLogP of -1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(dimethylamino)ethyl-methylsulfamoyl]butanoic acid is sourced from PubChem (CID 89124296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).