N-(2-amino-2-sulfanylideneethyl)-2-(4-tert-butylpiperidin-1-yl)-2-oxoacetamide

C13H23N3O2S — CID 62083827

IUPACN-(2-amino-2-sulfanylideneethyl)-2-(4-tert-butylpiperidin-1-yl)-2-oxoacetamide
SMILESCC(C)(C)C1CCN(C(=O)C(=O)NCC(N)=S)CC1
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)9-4-6-16(7-5-9)12(18)11(17)15-8-10(14)19/h9H,4-8H2,1-3H3,(H2,14,19)(H,15,17)
InChIKeyUGKSOUNCZIMDMW-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.67
Rot. Bonds2

About N-(2-amino-2-sulfanylideneethyl)-2-(4-tert-butylpiperidin-1-yl)-2-oxoacetamide

N-(2-amino-2-sulfanylideneethyl)-2-(4-tert-butylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 62083827) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2-(4-tert-butylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2-(4-tert-butylpiperidin-1-yl)-2-oxoacetamide
PubChem CID62083827
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2-(4-tert-butylpiperidin-1-yl)-2-oxoacetamide
SMILESCC(C)(C)C1CCN(C(=O)C(=O)NCC(N)=S)CC1
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)9-4-6-16(7-5-9)12(18)11(17)15-8-10(14)19/h9H,4-8H2,1-3H3,(H2,14,19)(H,15,17)
InChIKeyUGKSOUNCZIMDMW-UHFFFAOYSA-N
XLogP0.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(2-amino-2-sulfanylideneethyl)-2-(4-tert-butylpiperidin-1-yl)-2-oxoacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-(4-tert-butylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-(4-tert-butylpiperidin-1-yl)-2-oxoacetamide (CID 62083827) is N-(2-amino-2-sulfanylideneethyl)-2-(4-tert-butylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2-(4-tert-butylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2-(4-tert-butylpiperidin-1-yl)-2-oxoacetamide is CC(C)(C)C1CCN(C(=O)C(=O)NCC(N)=S)CC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2-(4-tert-butylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is UGKSOUNCZIMDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-13(2,3)9-4-6-16(7-5-9)12(18)11(17)15-8-10(14)19/h9H,4-8H2,1-3H3,(H2,14,19)(H,15,17).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2-(4-tert-butylpiperidin-1-yl)-2-oxoacetamide?
N-(2-amino-2-sulfanylideneethyl)-2-(4-tert-butylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 285.41 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2-(4-tert-butylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 62083827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).