1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-6-methylpiperidine-3-carboxamide

C11H18N4O3S — CID 54989242

IUPAC1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)C(=O)NCC(N)=S
InChIInChI=1S/C11H18N4O3S/c1-6-2-3-7(9(13)16)5-15(6)11(18)10(17)14-4-8(12)19/h6-7H,2-5H2,1H3,(H2,12,19)(H2,13,16)(H,14,17)
InChIKeyXLDWLSWJOXQTTG-UHFFFAOYSA-N
MW286.36 g/mol
LogP-1.50
Rot. Bonds3

About 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-6-methylpiperidine-3-carboxamide

1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-6-methylpiperidine-3-carboxamide (PubChem CID 54989242) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-6-methylpiperidine-3-carboxamide
PubChem CID54989242
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)C(=O)NCC(N)=S
InChIInChI=1S/C11H18N4O3S/c1-6-2-3-7(9(13)16)5-15(6)11(18)10(17)14-4-8(12)19/h6-7H,2-5H2,1H3,(H2,12,19)(H2,13,16)(H,14,17)
InChIKeyXLDWLSWJOXQTTG-UHFFFAOYSA-N
XLogP-1.50
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-6-methylpiperidine-3-carboxamide 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 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-6-methylpiperidine-3-carboxamide (CID 54989242) is 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)C(=O)NCC(N)=S.
What is the InChIKey of 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is XLDWLSWJOXQTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-6-2-3-7(9(13)16)5-15(6)11(18)10(17)14-4-8(12)19/h6-7H,2-5H2,1H3,(H2,12,19)(H2,13,16)(H,14,17).
What are the key properties of 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-6-methylpiperidine-3-carboxamide?
1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 54989242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).