N'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N',4-dimethylpent-2-enehydrazide

C16H26N4O3S3 — CID 91399576

IUPACN'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N',4-dimethylpent-2-enehydrazide
SMILESCC(C)C=C(C(=O)NN(C)C(=S)C1CC1)S(=O)(=O)NN(C)C(=S)C1CC1
InChIInChI=1S/C16H26N4O3S3/c1-10(2)9-13(14(21)17-19(3)15(24)11-5-6-11)26(22,23)18-20(4)16(25)12-7-8-12/h9-12,18H,5-8H2,1-4H3,(H,17,21)
InChIKeyORHZYGLDOMVPNI-UHFFFAOYSA-N
MW418.61 g/mol
LogP1.73
Rot. Bonds7

About N'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N',4-dimethylpent-2-enehydrazide

N'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N',4-dimethylpent-2-enehydrazide (PubChem CID 91399576) has the molecular formula C16H26N4O3S3 and a molecular weight of 418.61 g/mol. Its IUPAC name is N'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N',4-dimethylpent-2-enehydrazide.

Molecular Properties

Compound NameN'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N',4-dimethylpent-2-enehydrazide
PubChem CID91399576
Molecular FormulaC16H26N4O3S3
Molecular Weight418.61 g/mol
Exact Mass418.12
IUPAC NameN'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N',4-dimethylpent-2-enehydrazide
SMILESCC(C)C=C(C(=O)NN(C)C(=S)C1CC1)S(=O)(=O)NN(C)C(=S)C1CC1
InChIInChI=1S/C16H26N4O3S3/c1-10(2)9-13(14(21)17-19(3)15(24)11-5-6-11)26(22,23)18-20(4)16(25)12-7-8-12/h9-12,18H,5-8H2,1-4H3,(H,17,21)
InChIKeyORHZYGLDOMVPNI-UHFFFAOYSA-N
XLogP1.73
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N',4-dimethylpent-2-enehydrazide?
The IUPAC name of N'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N',4-dimethylpent-2-enehydrazide (CID 91399576) is N'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N',4-dimethylpent-2-enehydrazide.
What is the SMILES notation for N'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N',4-dimethylpent-2-enehydrazide?
The canonical SMILES for N'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N',4-dimethylpent-2-enehydrazide is CC(C)C=C(C(=O)NN(C)C(=S)C1CC1)S(=O)(=O)NN(C)C(=S)C1CC1.
What is the InChIKey of N'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N',4-dimethylpent-2-enehydrazide?
The InChIKey is ORHZYGLDOMVPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S3/c1-10(2)9-13(14(21)17-19(3)15(24)11-5-6-11)26(22,23)18-20(4)16(25)12-7-8-12/h9-12,18H,5-8H2,1-4H3,(H,17,21).
What are the key properties of N'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N',4-dimethylpent-2-enehydrazide?
N'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N',4-dimethylpent-2-enehydrazide has a molecular weight of 418.61 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N',4-dimethylpent-2-enehydrazide is sourced from PubChem (CID 91399576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).