2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid

C9H16N4O4S — CID 103862547

IUPAC2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C9H16N4O4S/c1-12(2)3-4-13(6-9(14)15)18(16,17)8-5-10-7-11-8/h5,7H,3-4,6H2,1-2H3,(H,10,11)(H,14,15)
InChIKeyPTPAHOUHOGLQNL-UHFFFAOYSA-N
MW276.32 g/mol
LogP-0.95
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid (PubChem CID 103862547) has the molecular formula C9H16N4O4S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid
PubChem CID103862547
Molecular FormulaC9H16N4O4S
Molecular Weight276.32 g/mol
Exact Mass276.09
IUPAC Name2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C9H16N4O4S/c1-12(2)3-4-13(6-9(14)15)18(16,17)8-5-10-7-11-8/h5,7H,3-4,6H2,1-2H3,(H,10,11)(H,14,15)
InChIKeyPTPAHOUHOGLQNL-UHFFFAOYSA-N
XLogP-0.95
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)-1H-imidazole-5-sulfonamide
CID 115755526
N-[3-(diethylamino)propyl]-N-ethyl-1H-imidazole-5-sulfonamide
CID 102995748
N-methyl-N-[2-(methylamino)ethyl]-1H-imidazole-5-sulfonamide;hydrochloride
CID 120718169
N-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide
CID 79668448
N-cyclobutyl-N-methyl-1H-imidazole-5-sulfonamide
CID 115650745
1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid
CID 54530501
N-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide
CID 104556364
N-(4-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
CID 20888599
N-ethyl-N-(piperidin-4-ylmethyl)-1H-imidazole-5-sulfonamide
CID 79716580
2-[(2-bromo-4-fluorophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103862497
N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide
CID 106630692
N-(2-bromo-3-methoxypropyl)-N-methyl-1H-imidazole-5-sulfonamide
CID 80672046

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid (CID 103862547) is 2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid is CN(C)CCN(CC(=O)O)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid?
The InChIKey is PTPAHOUHOGLQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S/c1-12(2)3-4-13(6-9(14)15)18(16,17)8-5-10-7-11-8/h5,7H,3-4,6H2,1-2H3,(H,10,11)(H,14,15).
What are the key properties of 2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid has a molecular weight of 276.32 g/mol, XLogP of -0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(1H-imidazol-5-ylsulfonyl)amino]acetic acid is sourced from PubChem (CID 103862547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).