N'-(cycloheptanecarbothioyl)-N'-methyl-3-oxopentanehydrazide

C14H24N2O2S — CID 142205212

IUPACN'-(cycloheptanecarbothioyl)-N'-methyl-3-oxopentanehydrazide
SMILESCCC(=O)CC(=O)NN(C)C(=S)C1CCCCCC1
InChIInChI=1S/C14H24N2O2S/c1-3-12(17)10-13(18)15-16(2)14(19)11-8-6-4-5-7-9-11/h11H,3-10H2,1-2H3,(H,15,18)
InChIKeyTYTPXGRQDSIJPA-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.62
Rot. Bonds4

About N'-(cycloheptanecarbothioyl)-N'-methyl-3-oxopentanehydrazide

N'-(cycloheptanecarbothioyl)-N'-methyl-3-oxopentanehydrazide (PubChem CID 142205212) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N'-(cycloheptanecarbothioyl)-N'-methyl-3-oxopentanehydrazide.

Molecular Properties

Compound NameN'-(cycloheptanecarbothioyl)-N'-methyl-3-oxopentanehydrazide
PubChem CID142205212
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN'-(cycloheptanecarbothioyl)-N'-methyl-3-oxopentanehydrazide
SMILESCCC(=O)CC(=O)NN(C)C(=S)C1CCCCCC1
InChIInChI=1S/C14H24N2O2S/c1-3-12(17)10-13(18)15-16(2)14(19)11-8-6-4-5-7-9-11/h11H,3-10H2,1-2H3,(H,15,18)
InChIKeyTYTPXGRQDSIJPA-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

3-N'-(cycloheptanecarbothioyl)-1-N',1-N',3-N'-trimethylpropanedihydrazide;1-cyclopentylethanethione
CID 142205205
1-N'-(cyclopropanecarbothioyl)-1-N',3-N'-dimethyl-3-N'-(pyrrolidine-1-carbothioyl)propanedihydrazide
CID 90690352
1-N',3-N'-bis(cyclohexanecarbothioyl)-1-N',3-N'-diphenylpropanedihydrazide
CID 10230476
N'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N'-methyl-3-(propan-2-ylamino)prop-2-enehydrazide
CID 87109121
(E)-1-cyclohexyl-2-ethylbut-2-en-1-one
CID 24977366
(E)-1-cyclohexylpent-2-en-1-one
CID 88674755
cyclohexyl 3,5-dioxoheptanoate
CID 139634399
N'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N',4-dimethylpent-2-enehydrazide
CID 91399576
N-cyclododecylpropanamide
CID 2784600
cyclohexyl(triethylsilyl)methanone
CID 15093454
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649

Frequently Asked Questions

What is the IUPAC name of N'-(cycloheptanecarbothioyl)-N'-methyl-3-oxopentanehydrazide?
The IUPAC name of N'-(cycloheptanecarbothioyl)-N'-methyl-3-oxopentanehydrazide (CID 142205212) is N'-(cycloheptanecarbothioyl)-N'-methyl-3-oxopentanehydrazide.
What is the SMILES notation for N'-(cycloheptanecarbothioyl)-N'-methyl-3-oxopentanehydrazide?
The canonical SMILES for N'-(cycloheptanecarbothioyl)-N'-methyl-3-oxopentanehydrazide is CCC(=O)CC(=O)NN(C)C(=S)C1CCCCCC1.
What is the InChIKey of N'-(cycloheptanecarbothioyl)-N'-methyl-3-oxopentanehydrazide?
The InChIKey is TYTPXGRQDSIJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-3-12(17)10-13(18)15-16(2)14(19)11-8-6-4-5-7-9-11/h11H,3-10H2,1-2H3,(H,15,18).
What are the key properties of N'-(cycloheptanecarbothioyl)-N'-methyl-3-oxopentanehydrazide?
N'-(cycloheptanecarbothioyl)-N'-methyl-3-oxopentanehydrazide has a molecular weight of 284.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cycloheptanecarbothioyl)-N'-methyl-3-oxopentanehydrazide is sourced from PubChem (CID 142205212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).