(E)-4-(dimethylaminohydrazinylidene)-2-methyl-5-sulfanylidenehept-2-enamide

C10H18N4OS — CID 163803786

IUPAC(E)-4-(dimethylaminohydrazinylidene)-2-methyl-5-sulfanylidenehept-2-enamide
SMILESCCC(=S)C(/C=C(\C)C(N)=O)=NNN(C)C
InChIInChI=1S/C10H18N4OS/c1-5-9(16)8(12-13-14(3)4)6-7(2)10(11)15/h6,13H,5H2,1-4H3,(H2,11,15)/b7-6+,12-8?
InChIKeyZXWBAXDUUUAEOL-PSSAGTMVSA-N
MW242.35 g/mol
LogP0.62
Rot. Bonds6

About (E)-4-(dimethylaminohydrazinylidene)-2-methyl-5-sulfanylidenehept-2-enamide

(E)-4-(dimethylaminohydrazinylidene)-2-methyl-5-sulfanylidenehept-2-enamide (PubChem CID 163803786) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is (E)-4-(dimethylaminohydrazinylidene)-2-methyl-5-sulfanylidenehept-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylaminohydrazinylidene)-2-methyl-5-sulfanylidenehept-2-enamide
PubChem CID163803786
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name(E)-4-(dimethylaminohydrazinylidene)-2-methyl-5-sulfanylidenehept-2-enamide
SMILESCCC(=S)C(/C=C(\C)C(N)=O)=NNN(C)C
InChIInChI=1S/C10H18N4OS/c1-5-9(16)8(12-13-14(3)4)6-7(2)10(11)15/h6,13H,5H2,1-4H3,(H2,11,15)/b7-6+,12-8?
InChIKeyZXWBAXDUUUAEOL-PSSAGTMVSA-N
XLogP0.62
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 (E)-4-(dimethylaminohydrazinylidene)-2-methyl-5-sulfanylidenehept-2-enamide?
The IUPAC name of (E)-4-(dimethylaminohydrazinylidene)-2-methyl-5-sulfanylidenehept-2-enamide (CID 163803786) is (E)-4-(dimethylaminohydrazinylidene)-2-methyl-5-sulfanylidenehept-2-enamide.
What is the SMILES notation for (E)-4-(dimethylaminohydrazinylidene)-2-methyl-5-sulfanylidenehept-2-enamide?
The canonical SMILES for (E)-4-(dimethylaminohydrazinylidene)-2-methyl-5-sulfanylidenehept-2-enamide is CCC(=S)C(/C=C(\C)C(N)=O)=NNN(C)C.
What is the InChIKey of (E)-4-(dimethylaminohydrazinylidene)-2-methyl-5-sulfanylidenehept-2-enamide?
The InChIKey is ZXWBAXDUUUAEOL-PSSAGTMVSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-5-9(16)8(12-13-14(3)4)6-7(2)10(11)15/h6,13H,5H2,1-4H3,(H2,11,15)/b7-6+,12-8?.
What are the key properties of (E)-4-(dimethylaminohydrazinylidene)-2-methyl-5-sulfanylidenehept-2-enamide?
(E)-4-(dimethylaminohydrazinylidene)-2-methyl-5-sulfanylidenehept-2-enamide has a molecular weight of 242.35 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylaminohydrazinylidene)-2-methyl-5-sulfanylidenehept-2-enamide is sourced from PubChem (CID 163803786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).