(2E)-2-(acetylhydrazinylidene)-N-[(methyldisulfanyl)methyl]acetamide

C6H11N3O2S2 — CID 58725645

IUPAC(2E)-2-(acetylhydrazinylidene)-N-[(methyldisulfanyl)methyl]acetamide
SMILESCSSCNC(=O)/C=N/NC(C)=O
InChIInChI=1S/C6H11N3O2S2/c1-5(10)9-8-3-6(11)7-4-13-12-2/h3H,4H2,1-2H3,(H,7,11)(H,9,10)/b8-3+
InChIKeyNYNTUWNXXMVBKJ-FPYGCLRLSA-N
MW221.31 g/mol
LogP0.19
Rot. Bonds5

About (2E)-2-(acetylhydrazinylidene)-N-[(methyldisulfanyl)methyl]acetamide

(2E)-2-(acetylhydrazinylidene)-N-[(methyldisulfanyl)methyl]acetamide (PubChem CID 58725645) has the molecular formula C6H11N3O2S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is (2E)-2-(acetylhydrazinylidene)-N-[(methyldisulfanyl)methyl]acetamide.

Molecular Properties

Compound Name(2E)-2-(acetylhydrazinylidene)-N-[(methyldisulfanyl)methyl]acetamide
PubChem CID58725645
Molecular FormulaC6H11N3O2S2
Molecular Weight221.31 g/mol
Exact Mass221.03
IUPAC Name(2E)-2-(acetylhydrazinylidene)-N-[(methyldisulfanyl)methyl]acetamide
SMILESCSSCNC(=O)/C=N/NC(C)=O
InChIInChI=1S/C6H11N3O2S2/c1-5(10)9-8-3-6(11)7-4-13-12-2/h3H,4H2,1-2H3,(H,7,11)(H,9,10)/b8-3+
InChIKeyNYNTUWNXXMVBKJ-FPYGCLRLSA-N
XLogP0.19
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_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 (2E)-2-(acetylhydrazinylidene)-N-[(methyldisulfanyl)methyl]acetamide?
The IUPAC name of (2E)-2-(acetylhydrazinylidene)-N-[(methyldisulfanyl)methyl]acetamide (CID 58725645) is (2E)-2-(acetylhydrazinylidene)-N-[(methyldisulfanyl)methyl]acetamide.
What is the SMILES notation for (2E)-2-(acetylhydrazinylidene)-N-[(methyldisulfanyl)methyl]acetamide?
The canonical SMILES for (2E)-2-(acetylhydrazinylidene)-N-[(methyldisulfanyl)methyl]acetamide is CSSCNC(=O)/C=N/NC(C)=O.
What is the InChIKey of (2E)-2-(acetylhydrazinylidene)-N-[(methyldisulfanyl)methyl]acetamide?
The InChIKey is NYNTUWNXXMVBKJ-FPYGCLRLSA-N. The full InChI is InChI=1S/C6H11N3O2S2/c1-5(10)9-8-3-6(11)7-4-13-12-2/h3H,4H2,1-2H3,(H,7,11)(H,9,10)/b8-3+.
What are the key properties of (2E)-2-(acetylhydrazinylidene)-N-[(methyldisulfanyl)methyl]acetamide?
(2E)-2-(acetylhydrazinylidene)-N-[(methyldisulfanyl)methyl]acetamide has a molecular weight of 221.31 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(acetylhydrazinylidene)-N-[(methyldisulfanyl)methyl]acetamide is sourced from PubChem (CID 58725645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).