N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide

C11H16N4O2S — CID 55163804

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide
SMILESCc1cnc(=O)n(CC(=O)N(C)CCC(N)=S)c1
InChIInChI=1S/C11H16N4O2S/c1-8-5-13-11(17)15(6-8)7-10(16)14(2)4-3-9(12)18/h5-6H,3-4,7H2,1-2H3,(H2,12,18)
InChIKeyBQTZHXYPZUJDJR-UHFFFAOYSA-N
MW268.34 g/mol
LogP-0.31
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide (PubChem CID 55163804) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide
PubChem CID55163804
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide
SMILESCc1cnc(=O)n(CC(=O)N(C)CCC(N)=S)c1
InChIInChI=1S/C11H16N4O2S/c1-8-5-13-11(17)15(6-8)7-10(16)14(2)4-3-9(12)18/h5-6H,3-4,7H2,1-2H3,(H2,12,18)
InChIKeyBQTZHXYPZUJDJR-UHFFFAOYSA-N
XLogP-0.31
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
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)-N-methyl-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide (CID 55163804) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide is Cc1cnc(=O)n(CC(=O)N(C)CCC(N)=S)c1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide?
The InChIKey is BQTZHXYPZUJDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-8-5-13-11(17)15(6-8)7-10(16)14(2)4-3-9(12)18/h5-6H,3-4,7H2,1-2H3,(H2,12,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide has a molecular weight of 268.34 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 55163804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).