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

C10H16N4O3S — CID 43316033

IUPAC1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)C(=O)NCC(N)=S)C1
InChIInChI=1S/C10H16N4O3S/c11-7(18)4-13-9(16)10(17)14-3-1-2-6(5-14)8(12)15/h6H,1-5H2,(H2,11,18)(H2,12,15)(H,13,16)
InChIKeyMYAXQOWRVWJXGF-UHFFFAOYSA-N
MW272.33 g/mol
LogP-1.89
Rot. Bonds3

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

1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]piperidine-3-carboxamide (PubChem CID 43316033) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]piperidine-3-carboxamide
PubChem CID43316033
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)C(=O)NCC(N)=S)C1
InChIInChI=1S/C10H16N4O3S/c11-7(18)4-13-9(16)10(17)14-3-1-2-6(5-14)8(12)15/h6H,1-5H2,(H2,11,18)(H2,12,15)(H,13,16)
InChIKeyMYAXQOWRVWJXGF-UHFFFAOYSA-N
XLogP-1.89
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-1.89
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]piperidine-3-carboxamide (CID 43316033) is 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)C(=O)NCC(N)=S)C1.
What is the InChIKey of 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]piperidine-3-carboxamide?
The InChIKey is MYAXQOWRVWJXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c11-7(18)4-13-9(16)10(17)14-3-1-2-6(5-14)8(12)15/h6H,1-5H2,(H2,11,18)(H2,12,15)(H,13,16).
What are the key properties of 1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]piperidine-3-carboxamide?
1-[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]piperidine-3-carboxamide has a molecular weight of 272.33 g/mol, XLogP of -1.89, 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]piperidine-3-carboxamide is sourced from PubChem (CID 43316033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).