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

C10H14N4O2S — CID 112753725

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxopyrazin-1-yl)acetamide
SMILESCN(CCC(N)=S)C(=O)Cn1ccncc1=O
InChIInChI=1S/C10H14N4O2S/c1-13(4-2-8(11)17)10(16)7-14-5-3-12-6-9(14)15/h3,5-6H,2,4,7H2,1H3,(H2,11,17)
InChIKeyYFGRYCVDXNTELI-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.62
Rot. Bonds5

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

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxopyrazin-1-yl)acetamide (PubChem CID 112753725) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxopyrazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxopyrazin-1-yl)acetamide
PubChem CID112753725
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxopyrazin-1-yl)acetamide
SMILESCN(CCC(N)=S)C(=O)Cn1ccncc1=O
InChIInChI=1S/C10H14N4O2S/c1-13(4-2-8(11)17)10(16)7-14-5-3-12-6-9(14)15/h3,5-6H,2,4,7H2,1H3,(H2,11,17)
InChIKeyYFGRYCVDXNTELI-UHFFFAOYSA-N
XLogP-0.62
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.62
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-(2-oxopyrazin-1-yl)acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxopyrazin-1-yl)acetamide (CID 112753725) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxopyrazin-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxopyrazin-1-yl)acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxopyrazin-1-yl)acetamide is CN(CCC(N)=S)C(=O)Cn1ccncc1=O.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxopyrazin-1-yl)acetamide?
The InChIKey is YFGRYCVDXNTELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-13(4-2-8(11)17)10(16)7-14-5-3-12-6-9(14)15/h3,5-6H,2,4,7H2,1H3,(H2,11,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxopyrazin-1-yl)acetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-oxopyrazin-1-yl)acetamide has a molecular weight of 254.31 g/mol, XLogP of -0.62, 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-(2-oxopyrazin-1-yl)acetamide is sourced from PubChem (CID 112753725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).