N'-hydroxy-2-[methyl(thian-4-yl)amino]ethanimidamide

C8H17N3OS — CID 129491055

IUPACN'-hydroxy-2-[methyl(thian-4-yl)amino]ethanimidamide
SMILESCN(CC(N)=NO)C1CCSCC1
InChIInChI=1S/C8H17N3OS/c1-11(6-8(9)10-12)7-2-4-13-5-3-7/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyGWPPOWKZWZSEOP-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.56
Rot. Bonds3

About N'-hydroxy-2-[methyl(thian-4-yl)amino]ethanimidamide

N'-hydroxy-2-[methyl(thian-4-yl)amino]ethanimidamide (PubChem CID 129491055) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(thian-4-yl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(thian-4-yl)amino]ethanimidamide
PubChem CID129491055
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC NameN'-hydroxy-2-[methyl(thian-4-yl)amino]ethanimidamide
SMILESCN(CC(N)=NO)C1CCSCC1
InChIInChI=1S/C8H17N3OS/c1-11(6-8(9)10-12)7-2-4-13-5-3-7/h7,12H,2-6H2,1H3,(H2,9,10)
InChIKeyGWPPOWKZWZSEOP-UHFFFAOYSA-N
XLogP0.56
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[methyl(thian-4-yl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(thian-4-yl)amino]ethanimidamide (CID 129491055) is N'-hydroxy-2-[methyl(thian-4-yl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(thian-4-yl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(thian-4-yl)amino]ethanimidamide is CN(CC(N)=NO)C1CCSCC1.
What is the InChIKey of N'-hydroxy-2-[methyl(thian-4-yl)amino]ethanimidamide?
The InChIKey is GWPPOWKZWZSEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c1-11(6-8(9)10-12)7-2-4-13-5-3-7/h7,12H,2-6H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-[methyl(thian-4-yl)amino]ethanimidamide?
N'-hydroxy-2-[methyl(thian-4-yl)amino]ethanimidamide has a molecular weight of 203.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(thian-4-yl)amino]ethanimidamide is sourced from PubChem (CID 129491055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).