(3Z)-4-amino-3-aminooxyimino-N'-(methylideneamino)-2-sulfanylbutanimidamide

C5H12N6OS — CID 166736449

IUPAC(3Z)-4-amino-3-aminooxyimino-N'-(methylideneamino)-2-sulfanylbutanimidamide
SMILESC=N/N=C(/N)C(S)/C(CN)=N\ON
InChIInChI=1S/C5H12N6OS/c1-9-10-5(7)4(13)3(2-6)11-12-8/h4,13H,1-2,6,8H2,(H2,7,10)/b11-3-
InChIKeyLSKSEPPZNRDJSM-JYOAFUTRSA-N
MW204.26 g/mol
LogP-1.54
Rot. Bonds5

About (3Z)-4-amino-3-aminooxyimino-N'-(methylideneamino)-2-sulfanylbutanimidamide

(3Z)-4-amino-3-aminooxyimino-N'-(methylideneamino)-2-sulfanylbutanimidamide (PubChem CID 166736449) has the molecular formula C5H12N6OS and a molecular weight of 204.26 g/mol. Its IUPAC name is (3Z)-4-amino-3-aminooxyimino-N'-(methylideneamino)-2-sulfanylbutanimidamide.

Molecular Properties

Compound Name(3Z)-4-amino-3-aminooxyimino-N'-(methylideneamino)-2-sulfanylbutanimidamide
PubChem CID166736449
Molecular FormulaC5H12N6OS
Molecular Weight204.26 g/mol
Exact Mass204.08
IUPAC Name(3Z)-4-amino-3-aminooxyimino-N'-(methylideneamino)-2-sulfanylbutanimidamide
SMILESC=N/N=C(/N)C(S)/C(CN)=N\ON
InChIInChI=1S/C5H12N6OS/c1-9-10-5(7)4(13)3(2-6)11-12-8/h4,13H,1-2,6,8H2,(H2,7,10)/b11-3-
InChIKeyLSKSEPPZNRDJSM-JYOAFUTRSA-N
XLogP-1.54
TPSA124.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-amino-3-aminooxyimino-N'-(methylideneamino)-2-sulfanylbutanimidamide?
The IUPAC name of (3Z)-4-amino-3-aminooxyimino-N'-(methylideneamino)-2-sulfanylbutanimidamide (CID 166736449) is (3Z)-4-amino-3-aminooxyimino-N'-(methylideneamino)-2-sulfanylbutanimidamide.
What is the SMILES notation for (3Z)-4-amino-3-aminooxyimino-N'-(methylideneamino)-2-sulfanylbutanimidamide?
The canonical SMILES for (3Z)-4-amino-3-aminooxyimino-N'-(methylideneamino)-2-sulfanylbutanimidamide is C=N/N=C(/N)C(S)/C(CN)=N\ON.
What is the InChIKey of (3Z)-4-amino-3-aminooxyimino-N'-(methylideneamino)-2-sulfanylbutanimidamide?
The InChIKey is LSKSEPPZNRDJSM-JYOAFUTRSA-N. The full InChI is InChI=1S/C5H12N6OS/c1-9-10-5(7)4(13)3(2-6)11-12-8/h4,13H,1-2,6,8H2,(H2,7,10)/b11-3-.
What are the key properties of (3Z)-4-amino-3-aminooxyimino-N'-(methylideneamino)-2-sulfanylbutanimidamide?
(3Z)-4-amino-3-aminooxyimino-N'-(methylideneamino)-2-sulfanylbutanimidamide has a molecular weight of 204.26 g/mol, XLogP of -1.54, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-amino-3-aminooxyimino-N'-(methylideneamino)-2-sulfanylbutanimidamide is sourced from PubChem (CID 166736449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).