1-N'-(cyclopropanecarbothioyl)-1-N',3-N'-dimethyl-3-N'-(pyrrolidine-1-carbothioyl)propanedihydrazide

C14H23N5O2S2 — CID 90690352

IUPAC1-N'-(cyclopropanecarbothioyl)-1-N',3-N'-dimethyl-3-N'-(pyrrolidine-1-carbothioyl)propanedihydrazide
SMILESCN(NC(=O)CC(=O)NN(C)C(=S)N1CCCC1)C(=S)C1CC1
InChIInChI=1S/C14H23N5O2S2/c1-17(13(22)10-5-6-10)15-11(20)9-12(21)16-18(2)14(23)19-7-3-4-8-19/h10H,3-9H2,1-2H3,(H,15,20)(H,16,21)
InChIKeySDPWHXOWDYMRTQ-UHFFFAOYSA-N
MW357.51 g/mol
LogP0.42
Rot. Bonds3

About 1-N'-(cyclopropanecarbothioyl)-1-N',3-N'-dimethyl-3-N'-(pyrrolidine-1-carbothioyl)propanedihydrazide

1-N'-(cyclopropanecarbothioyl)-1-N',3-N'-dimethyl-3-N'-(pyrrolidine-1-carbothioyl)propanedihydrazide (PubChem CID 90690352) has the molecular formula C14H23N5O2S2 and a molecular weight of 357.51 g/mol. Its IUPAC name is 1-N'-(cyclopropanecarbothioyl)-1-N',3-N'-dimethyl-3-N'-(pyrrolidine-1-carbothioyl)propanedihydrazide.

Molecular Properties

Compound Name1-N'-(cyclopropanecarbothioyl)-1-N',3-N'-dimethyl-3-N'-(pyrrolidine-1-carbothioyl)propanedihydrazide
PubChem CID90690352
Molecular FormulaC14H23N5O2S2
Molecular Weight357.51 g/mol
Exact Mass357.13
IUPAC Name1-N'-(cyclopropanecarbothioyl)-1-N',3-N'-dimethyl-3-N'-(pyrrolidine-1-carbothioyl)propanedihydrazide
SMILESCN(NC(=O)CC(=O)NN(C)C(=S)N1CCCC1)C(=S)C1CC1
InChIInChI=1S/C14H23N5O2S2/c1-17(13(22)10-5-6-10)15-11(20)9-12(21)16-18(2)14(23)19-7-3-4-8-19/h10H,3-9H2,1-2H3,(H,15,20)(H,16,21)
InChIKeySDPWHXOWDYMRTQ-UHFFFAOYSA-N
XLogP0.42
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.51
LogP ≤ 50.42
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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Related Compounds

N'-(cycloheptanecarbothioyl)-N'-methyl-3-oxopentanehydrazide
CID 142205212
3-N'-(cycloheptanecarbothioyl)-1-N',1-N',3-N'-trimethylpropanedihydrazide;1-cyclopentylethanethione
CID 142205205
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
N'-(cyclopropanecarbothioyl)-2-[[cyclopropanecarbothioyl(methyl)amino]sulfamoyl]-N',4-dimethylpent-2-enehydrazide
CID 91399576
(3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid
CID 83020621
[2-(cycloheptylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 4857334
4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 109150257
[2-(cyclohexylmethylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 78766011
3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159569
N-propyl-N-(pyrrolidine-1-carboximidoyl)cyclopentanecarboxamide
CID 167084897
[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 78765721

Frequently Asked Questions

What is the IUPAC name of 1-N'-(cyclopropanecarbothioyl)-1-N',3-N'-dimethyl-3-N'-(pyrrolidine-1-carbothioyl)propanedihydrazide?
The IUPAC name of 1-N'-(cyclopropanecarbothioyl)-1-N',3-N'-dimethyl-3-N'-(pyrrolidine-1-carbothioyl)propanedihydrazide (CID 90690352) is 1-N'-(cyclopropanecarbothioyl)-1-N',3-N'-dimethyl-3-N'-(pyrrolidine-1-carbothioyl)propanedihydrazide.
What is the SMILES notation for 1-N'-(cyclopropanecarbothioyl)-1-N',3-N'-dimethyl-3-N'-(pyrrolidine-1-carbothioyl)propanedihydrazide?
The canonical SMILES for 1-N'-(cyclopropanecarbothioyl)-1-N',3-N'-dimethyl-3-N'-(pyrrolidine-1-carbothioyl)propanedihydrazide is CN(NC(=O)CC(=O)NN(C)C(=S)N1CCCC1)C(=S)C1CC1.
What is the InChIKey of 1-N'-(cyclopropanecarbothioyl)-1-N',3-N'-dimethyl-3-N'-(pyrrolidine-1-carbothioyl)propanedihydrazide?
The InChIKey is SDPWHXOWDYMRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S2/c1-17(13(22)10-5-6-10)15-11(20)9-12(21)16-18(2)14(23)19-7-3-4-8-19/h10H,3-9H2,1-2H3,(H,15,20)(H,16,21).
What are the key properties of 1-N'-(cyclopropanecarbothioyl)-1-N',3-N'-dimethyl-3-N'-(pyrrolidine-1-carbothioyl)propanedihydrazide?
1-N'-(cyclopropanecarbothioyl)-1-N',3-N'-dimethyl-3-N'-(pyrrolidine-1-carbothioyl)propanedihydrazide has a molecular weight of 357.51 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(cyclopropanecarbothioyl)-1-N',3-N'-dimethyl-3-N'-(pyrrolidine-1-carbothioyl)propanedihydrazide is sourced from PubChem (CID 90690352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).