N'-hydroxy-2-(1-methylimidazol-2-yl)sulfanylbutanimidamide

C8H14N4OS — CID 76915969

IUPACN'-hydroxy-2-(1-methylimidazol-2-yl)sulfanylbutanimidamide
SMILESCCC(Sc1nccn1C)C(N)=NO
InChIInChI=1S/C8H14N4OS/c1-3-6(7(9)11-13)14-8-10-4-5-12(8)2/h4-6,13H,3H2,1-2H3,(H2,9,11)
InChIKeyKFUSPLPQUGVRNA-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.04
Rot. Bonds4

About N'-hydroxy-2-(1-methylimidazol-2-yl)sulfanylbutanimidamide

N'-hydroxy-2-(1-methylimidazol-2-yl)sulfanylbutanimidamide (PubChem CID 76915969) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N'-hydroxy-2-(1-methylimidazol-2-yl)sulfanylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1-methylimidazol-2-yl)sulfanylbutanimidamide
PubChem CID76915969
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN'-hydroxy-2-(1-methylimidazol-2-yl)sulfanylbutanimidamide
SMILESCCC(Sc1nccn1C)C(N)=NO
InChIInChI=1S/C8H14N4OS/c1-3-6(7(9)11-13)14-8-10-4-5-12(8)2/h4-6,13H,3H2,1-2H3,(H2,9,11)
InChIKeyKFUSPLPQUGVRNA-UHFFFAOYSA-N
XLogP1.04
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(1-methylimidazol-2-yl)sulfanylbutanimidamide?
The IUPAC name of N'-hydroxy-2-(1-methylimidazol-2-yl)sulfanylbutanimidamide (CID 76915969) is N'-hydroxy-2-(1-methylimidazol-2-yl)sulfanylbutanimidamide.
What is the SMILES notation for N'-hydroxy-2-(1-methylimidazol-2-yl)sulfanylbutanimidamide?
The canonical SMILES for N'-hydroxy-2-(1-methylimidazol-2-yl)sulfanylbutanimidamide is CCC(Sc1nccn1C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(1-methylimidazol-2-yl)sulfanylbutanimidamide?
The InChIKey is KFUSPLPQUGVRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-3-6(7(9)11-13)14-8-10-4-5-12(8)2/h4-6,13H,3H2,1-2H3,(H2,9,11).
What are the key properties of N'-hydroxy-2-(1-methylimidazol-2-yl)sulfanylbutanimidamide?
N'-hydroxy-2-(1-methylimidazol-2-yl)sulfanylbutanimidamide has a molecular weight of 214.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1-methylimidazol-2-yl)sulfanylbutanimidamide is sourced from PubChem (CID 76915969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).