1-N',3-N'-bis(cyclopentanecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide

C17H28N4O2S2 — CID 10178101

IUPAC1-N',3-N'-bis(cyclopentanecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide
SMILESCN(NC(=O)CC(=O)NN(C)C(=S)C1CCCC1)C(=S)C1CCCC1
InChIInChI=1S/C17H28N4O2S2/c1-20(16(24)12-7-3-4-8-12)18-14(22)11-15(23)19-21(2)17(25)13-9-5-6-10-13/h12-13H,3-11H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyFFHOCNCDECXESD-UHFFFAOYSA-N
MW384.57 g/mol
LogP2.34
Rot. Bonds4

About 1-N',3-N'-bis(cyclopentanecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide

1-N',3-N'-bis(cyclopentanecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide (PubChem CID 10178101) has the molecular formula C17H28N4O2S2 and a molecular weight of 384.57 g/mol. Its IUPAC name is 1-N',3-N'-bis(cyclopentanecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide.

Molecular Properties

Compound Name1-N',3-N'-bis(cyclopentanecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide
PubChem CID10178101
Molecular FormulaC17H28N4O2S2
Molecular Weight384.57 g/mol
Exact Mass384.17
IUPAC Name1-N',3-N'-bis(cyclopentanecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide
SMILESCN(NC(=O)CC(=O)NN(C)C(=S)C1CCCC1)C(=S)C1CCCC1
InChIInChI=1S/C17H28N4O2S2/c1-20(16(24)12-7-3-4-8-12)18-14(22)11-15(23)19-21(2)17(25)13-9-5-6-10-13/h12-13H,3-11H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyFFHOCNCDECXESD-UHFFFAOYSA-N
XLogP2.34
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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 1-N',3-N'-bis(cyclopentanecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide?
The IUPAC name of 1-N',3-N'-bis(cyclopentanecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide (CID 10178101) is 1-N',3-N'-bis(cyclopentanecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide.
What is the SMILES notation for 1-N',3-N'-bis(cyclopentanecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide?
The canonical SMILES for 1-N',3-N'-bis(cyclopentanecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide is CN(NC(=O)CC(=O)NN(C)C(=S)C1CCCC1)C(=S)C1CCCC1.
What is the InChIKey of 1-N',3-N'-bis(cyclopentanecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide?
The InChIKey is FFHOCNCDECXESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S2/c1-20(16(24)12-7-3-4-8-12)18-14(22)11-15(23)19-21(2)17(25)13-9-5-6-10-13/h12-13H,3-11H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of 1-N',3-N'-bis(cyclopentanecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide?
1-N',3-N'-bis(cyclopentanecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide has a molecular weight of 384.57 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',3-N'-bis(cyclopentanecarbothioyl)-1-N',3-N'-dimethylpropanedihydrazide is sourced from PubChem (CID 10178101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).