1-(2-ethylsulfanylethyl)-N'-hydroxyimidazole-2-carboximidamide

C8H14N4OS — CID 136981687

IUPAC1-(2-ethylsulfanylethyl)-N'-hydroxyimidazole-2-carboximidamide
SMILESCCSCCn1ccnc1/C(N)=N/O
InChIInChI=1S/C8H14N4OS/c1-2-14-6-5-12-4-3-10-8(12)7(9)11-13/h3-4,13H,2,5-6H2,1H3,(H2,9,11)
InChIKeyIBGSVQGVZSRQMY-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.73
Rot. Bonds5

About 1-(2-ethylsulfanylethyl)-N'-hydroxyimidazole-2-carboximidamide

1-(2-ethylsulfanylethyl)-N'-hydroxyimidazole-2-carboximidamide (PubChem CID 136981687) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)-N'-hydroxyimidazole-2-carboximidamide.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)-N'-hydroxyimidazole-2-carboximidamide
PubChem CID136981687
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name1-(2-ethylsulfanylethyl)-N'-hydroxyimidazole-2-carboximidamide
SMILESCCSCCn1ccnc1/C(N)=N/O
InChIInChI=1S/C8H14N4OS/c1-2-14-6-5-12-4-3-10-8(12)7(9)11-13/h3-4,13H,2,5-6H2,1H3,(H2,9,11)
InChIKeyIBGSVQGVZSRQMY-UHFFFAOYSA-N
XLogP0.73
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide
CID 136999161
1-(3-ethylsulfanylpropyl)-N'-hydroxypyrrole-2-carboximidamide
CID 114654881
1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide
CID 136954290
1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone
CID 65129636
2-ethyl-1-(3-ethylsulfanylpropyl)imidazole
CID 115769672
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide
CID 136693333
3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100693
ethyl 1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]imidazole-2-carboxylate
CID 56866166
1-(1-propylimidazol-2-yl)pentan-1-one
CID 79404906
5-(2-ethylimidazol-1-yl)-N'-hydroxypentanimidamide
CID 109374642
2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole
CID 84592567
1-(3-hydroxypropyl)imidazole-2-carboxamide
CID 173085384

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethyl)-N'-hydroxyimidazole-2-carboximidamide?
The IUPAC name of 1-(2-ethylsulfanylethyl)-N'-hydroxyimidazole-2-carboximidamide (CID 136981687) is 1-(2-ethylsulfanylethyl)-N'-hydroxyimidazole-2-carboximidamide.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)-N'-hydroxyimidazole-2-carboximidamide?
The canonical SMILES for 1-(2-ethylsulfanylethyl)-N'-hydroxyimidazole-2-carboximidamide is CCSCCn1ccnc1/C(N)=N/O.
What is the InChIKey of 1-(2-ethylsulfanylethyl)-N'-hydroxyimidazole-2-carboximidamide?
The InChIKey is IBGSVQGVZSRQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-2-14-6-5-12-4-3-10-8(12)7(9)11-13/h3-4,13H,2,5-6H2,1H3,(H2,9,11).
What are the key properties of 1-(2-ethylsulfanylethyl)-N'-hydroxyimidazole-2-carboximidamide?
1-(2-ethylsulfanylethyl)-N'-hydroxyimidazole-2-carboximidamide has a molecular weight of 214.29 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)-N'-hydroxyimidazole-2-carboximidamide is sourced from PubChem (CID 136981687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).