N-(2-amino-2-sulfanylideneethyl)-2-(4,4-dimethylpiperidin-1-yl)-2-oxoacetamide

C11H19N3O2S — CID 62931960

IUPACN-(2-amino-2-sulfanylideneethyl)-2-(4,4-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1(C)CCN(C(=O)C(=O)NCC(N)=S)CC1
InChIInChI=1S/C11H19N3O2S/c1-11(2)3-5-14(6-4-11)10(16)9(15)13-7-8(12)17/h3-7H2,1-2H3,(H2,12,17)(H,13,15)
InChIKeyHVOMTUZAKKDEEV-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.04
Rot. Bonds2

About N-(2-amino-2-sulfanylideneethyl)-2-(4,4-dimethylpiperidin-1-yl)-2-oxoacetamide

N-(2-amino-2-sulfanylideneethyl)-2-(4,4-dimethylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 62931960) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2-(4,4-dimethylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2-(4,4-dimethylpiperidin-1-yl)-2-oxoacetamide
PubChem CID62931960
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2-(4,4-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1(C)CCN(C(=O)C(=O)NCC(N)=S)CC1
InChIInChI=1S/C11H19N3O2S/c1-11(2)3-5-14(6-4-11)10(16)9(15)13-7-8(12)17/h3-7H2,1-2H3,(H2,12,17)(H,13,15)
InChIKeyHVOMTUZAKKDEEV-UHFFFAOYSA-N
XLogP0.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.04
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-(4,4-dimethylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-(4,4-dimethylpiperidin-1-yl)-2-oxoacetamide (CID 62931960) is N-(2-amino-2-sulfanylideneethyl)-2-(4,4-dimethylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2-(4,4-dimethylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2-(4,4-dimethylpiperidin-1-yl)-2-oxoacetamide is CC1(C)CCN(C(=O)C(=O)NCC(N)=S)CC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2-(4,4-dimethylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is HVOMTUZAKKDEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(2)3-5-14(6-4-11)10(16)9(15)13-7-8(12)17/h3-7H2,1-2H3,(H2,12,17)(H,13,15).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2-(4,4-dimethylpiperidin-1-yl)-2-oxoacetamide?
N-(2-amino-2-sulfanylideneethyl)-2-(4,4-dimethylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 257.36 g/mol, XLogP of 0.04, 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-(4,4-dimethylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 62931960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).