N-(3-amino-3-sulfanylidenepropyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide

C11H16N4O3S — CID 43290876

IUPACN-(3-amino-3-sulfanylidenepropyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide
SMILESCN(CCC(N)=S)C(=O)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H16N4O3S/c1-14(6-4-8(12)19)10(17)5-7-15-11(18)3-2-9(16)13-15/h2-3H,4-7H2,1H3,(H2,12,19)(H,13,16)
InChIKeyKXVZBESETFCERL-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.94
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide

N-(3-amino-3-sulfanylidenepropyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide (PubChem CID 43290876) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide
PubChem CID43290876
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide
SMILESCN(CCC(N)=S)C(=O)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H16N4O3S/c1-14(6-4-8(12)19)10(17)5-7-15-11(18)3-2-9(16)13-15/h2-3H,4-7H2,1H3,(H2,12,19)(H,13,16)
InChIKeyKXVZBESETFCERL-UHFFFAOYSA-N
XLogP-0.94
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide (CID 43290876) is N-(3-amino-3-sulfanylidenepropyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide is CN(CCC(N)=S)C(=O)CCn1[nH]c(=O)ccc1=O.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide?
The InChIKey is KXVZBESETFCERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-14(6-4-8(12)19)10(17)5-7-15-11(18)3-2-9(16)13-15/h2-3H,4-7H2,1H3,(H2,12,19)(H,13,16).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide?
N-(3-amino-3-sulfanylidenepropyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide has a molecular weight of 284.34 g/mol, XLogP of -0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylpropanamide is sourced from PubChem (CID 43290876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).