N'-[(2Z)-2-sulfanylpenta-2,4-dienoyl]heptanehydrazide

C12H20N2O2S — CID 142240252

IUPACN'-[(2Z)-2-sulfanylpenta-2,4-dienoyl]heptanehydrazide
SMILESC=C/C=C(\S)C(=O)NNC(=O)CCCCCC
InChIInChI=1S/C12H20N2O2S/c1-3-5-6-7-9-11(15)13-14-12(16)10(17)8-4-2/h4,8,17H,2-3,5-7,9H2,1H3,(H,13,15)(H,14,16)/b10-8-
InChIKeyVWLXKJJMNACKHL-NTMALXAHSA-N
MW256.37 g/mol
LogP2.10
Rot. Bonds7

About N'-[(2Z)-2-sulfanylpenta-2,4-dienoyl]heptanehydrazide

N'-[(2Z)-2-sulfanylpenta-2,4-dienoyl]heptanehydrazide (PubChem CID 142240252) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N'-[(2Z)-2-sulfanylpenta-2,4-dienoyl]heptanehydrazide.

Molecular Properties

Compound NameN'-[(2Z)-2-sulfanylpenta-2,4-dienoyl]heptanehydrazide
PubChem CID142240252
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN'-[(2Z)-2-sulfanylpenta-2,4-dienoyl]heptanehydrazide
SMILESC=C/C=C(\S)C(=O)NNC(=O)CCCCCC
InChIInChI=1S/C12H20N2O2S/c1-3-5-6-7-9-11(15)13-14-12(16)10(17)8-4-2/h4,8,17H,2-3,5-7,9H2,1H3,(H,13,15)(H,14,16)/b10-8-
InChIKeyVWLXKJJMNACKHL-NTMALXAHSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N'-[(2Z)-2-sulfanylpenta-2,4-dienoyl]heptanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
2-(2-octanoylhydrazinyl)-2-oxoacetic acid
CID 175747026
N'-propanoylundecanehydrazide
CID 174995270
(decanoylamino)urea
CID 65426818
N'-(2-chloroacetyl)octanehydrazide
CID 5171797
heptacosane-10,12-dione
CID 14235516
N-ethenyldodecanamide
CID 21219286
5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid
CID 4955593
N-(2-methylprop-2-enoyl)heptadecanamide
CID 91422335
1-methyl-3-(octadecanoylamino)thiourea
CID 4189426
N-[(2Z)-penta-2,4-dien-2-yl]pentanamide
CID 134525821
1-(octadecanoylamino)-3-prop-2-enylthiourea
CID 11463658

Frequently Asked Questions

What is the IUPAC name of N'-[(2Z)-2-sulfanylpenta-2,4-dienoyl]heptanehydrazide?
The IUPAC name of N'-[(2Z)-2-sulfanylpenta-2,4-dienoyl]heptanehydrazide (CID 142240252) is N'-[(2Z)-2-sulfanylpenta-2,4-dienoyl]heptanehydrazide.
What is the SMILES notation for N'-[(2Z)-2-sulfanylpenta-2,4-dienoyl]heptanehydrazide?
The canonical SMILES for N'-[(2Z)-2-sulfanylpenta-2,4-dienoyl]heptanehydrazide is C=C/C=C(\S)C(=O)NNC(=O)CCCCCC.
What is the InChIKey of N'-[(2Z)-2-sulfanylpenta-2,4-dienoyl]heptanehydrazide?
The InChIKey is VWLXKJJMNACKHL-NTMALXAHSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-5-6-7-9-11(15)13-14-12(16)10(17)8-4-2/h4,8,17H,2-3,5-7,9H2,1H3,(H,13,15)(H,14,16)/b10-8-.
What are the key properties of N'-[(2Z)-2-sulfanylpenta-2,4-dienoyl]heptanehydrazide?
N'-[(2Z)-2-sulfanylpenta-2,4-dienoyl]heptanehydrazide has a molecular weight of 256.37 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2Z)-2-sulfanylpenta-2,4-dienoyl]heptanehydrazide is sourced from PubChem (CID 142240252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).