ethenyl N-[2-(piperidine-1-carbothioylamino)ethylcarbamothioyl]carbamate

C12H20N4O2S2 — CID 4671405

IUPACethenyl N-[2-(piperidine-1-carbothioylamino)ethylcarbamothioyl]carbamate
SMILESC=COC(=O)NC(=S)NCCNC(=S)N1CCCCC1
InChIInChI=1S/C12H20N4O2S2/c1-2-18-12(17)15-10(19)13-6-7-14-11(20)16-8-4-3-5-9-16/h2H,1,3-9H2,(H,14,20)(H2,13,15,17,19)
InChIKeyYZQQQPOQAIWGKE-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.09
Rot. Bonds4

About ethenyl N-[2-(piperidine-1-carbothioylamino)ethylcarbamothioyl]carbamate

ethenyl N-[2-(piperidine-1-carbothioylamino)ethylcarbamothioyl]carbamate (PubChem CID 4671405) has the molecular formula C12H20N4O2S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is ethenyl N-[2-(piperidine-1-carbothioylamino)ethylcarbamothioyl]carbamate.

Molecular Properties

Compound Nameethenyl N-[2-(piperidine-1-carbothioylamino)ethylcarbamothioyl]carbamate
PubChem CID4671405
Molecular FormulaC12H20N4O2S2
Molecular Weight316.45 g/mol
Exact Mass316.10
IUPAC Nameethenyl N-[2-(piperidine-1-carbothioylamino)ethylcarbamothioyl]carbamate
SMILESC=COC(=O)NC(=S)NCCNC(=S)N1CCCCC1
InChIInChI=1S/C12H20N4O2S2/c1-2-18-12(17)15-10(19)13-6-7-14-11(20)16-8-4-3-5-9-16/h2H,1,3-9H2,(H,14,20)(H2,13,15,17,19)
InChIKeyYZQQQPOQAIWGKE-UHFFFAOYSA-N
XLogP1.09
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze ethenyl N-[2-(piperidine-1-carbothioylamino)ethylcarbamothioyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(piperidine-1-carbothioylamino)-3-prop-2-enylthiourea
CID 4117717
N-propylazepane-1-carbothioamide
CID 19654131
N-(5-oxohexyl)piperidine-1-carbothioamide
CID 88559676
N-(2-ethenoxyethyl)morpholine-4-carbothioamide
CID 3029346
N-ethenylpyrrolidine-1-carbothioamide
CID 143146556
tert-butyl N-[2-(1,4-diazepane-1-carbothioylamino)ethyl]carbamate
CID 84557436
1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea
CID 113224018
ethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one
CID 143433046
N-(3-methylsulfanylpropyl)azepane-1-carbothioamide
CID 43384650
N-pentylpyrrolidine-1-carbothioamide
CID 127515670
N-(azepane-1-carbothioyl)-3-methylbutanamide
CID 2949854
1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea
CID 115583639

Frequently Asked Questions

What is the IUPAC name of ethenyl N-[2-(piperidine-1-carbothioylamino)ethylcarbamothioyl]carbamate?
The IUPAC name of ethenyl N-[2-(piperidine-1-carbothioylamino)ethylcarbamothioyl]carbamate (CID 4671405) is ethenyl N-[2-(piperidine-1-carbothioylamino)ethylcarbamothioyl]carbamate.
What is the SMILES notation for ethenyl N-[2-(piperidine-1-carbothioylamino)ethylcarbamothioyl]carbamate?
The canonical SMILES for ethenyl N-[2-(piperidine-1-carbothioylamino)ethylcarbamothioyl]carbamate is C=COC(=O)NC(=S)NCCNC(=S)N1CCCCC1.
What is the InChIKey of ethenyl N-[2-(piperidine-1-carbothioylamino)ethylcarbamothioyl]carbamate?
The InChIKey is YZQQQPOQAIWGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S2/c1-2-18-12(17)15-10(19)13-6-7-14-11(20)16-8-4-3-5-9-16/h2H,1,3-9H2,(H,14,20)(H2,13,15,17,19).
What are the key properties of ethenyl N-[2-(piperidine-1-carbothioylamino)ethylcarbamothioyl]carbamate?
ethenyl N-[2-(piperidine-1-carbothioylamino)ethylcarbamothioyl]carbamate has a molecular weight of 316.45 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-[2-(piperidine-1-carbothioylamino)ethylcarbamothioyl]carbamate is sourced from PubChem (CID 4671405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).