N-[2-(ethylamino)ethyl]-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide

C10H19N5O3S — CID 119507705

IUPACN-[2-(ethylamino)ethyl]-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide
SMILESCCNCCNC(=O)CNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C10H19N5O3S/c1-3-11-4-5-12-9(16)6-14-19(17,18)10-7-15(2)8-13-10/h7-8,11,14H,3-6H2,1-2H3,(H,12,16)
InChIKeyPSXFRCMNHVIMJZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP-1.58
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide

N-[2-(ethylamino)ethyl]-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide (PubChem CID 119507705) has the molecular formula C10H19N5O3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide
PubChem CID119507705
Molecular FormulaC10H19N5O3S
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC NameN-[2-(ethylamino)ethyl]-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide
SMILESCCNCCNC(=O)CNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C10H19N5O3S/c1-3-11-4-5-12-9(16)6-14-19(17,18)10-7-15(2)8-13-10/h7-8,11,14H,3-6H2,1-2H3,(H,12,16)
InChIKeyPSXFRCMNHVIMJZ-UHFFFAOYSA-N
XLogP-1.58
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62374275
N-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide
CID 119667308
N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-sulfonamide
CID 104594021
1-methyl-N-pentylimidazole-4-sulfonamide
CID 18961136
N-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide
CID 71879584
2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid
CID 79373274
2-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62675882
methyl 6-[(1-methylimidazol-4-yl)sulfonylamino]hexanoate
CID 62374971
N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 119507324
1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride
CID 18961157
1-methyl-N-[2-(propan-2-ylamino)ethyl]imidazole-4-sulfonamide
CID 62664968
N-(3-hydroxy-2,2-dimethylpropyl)-1-methylimidazole-4-sulfonamide
CID 115362968

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide (CID 119507705) is N-[2-(ethylamino)ethyl]-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide is CCNCCNC(=O)CNS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide?
The InChIKey is PSXFRCMNHVIMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S/c1-3-11-4-5-12-9(16)6-14-19(17,18)10-7-15(2)8-13-10/h7-8,11,14H,3-6H2,1-2H3,(H,12,16).
What are the key properties of N-[2-(ethylamino)ethyl]-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide?
N-[2-(ethylamino)ethyl]-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide has a molecular weight of 289.36 g/mol, XLogP of -1.58, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide is sourced from PubChem (CID 119507705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).