[dithiocarboxy(morpholin-4-yl)amino]-pyrazin-2-ylcarbamodithioic acid

C10H13N5OS4 — CID 87511334

IUPAC[dithiocarboxy(morpholin-4-yl)amino]-pyrazin-2-ylcarbamodithioic acid
SMILESS=C(S)N(c1cnccn1)N(C(=S)S)N1CCOCC1
InChIInChI=1S/C10H13N5OS4/c17-9(18)14(8-7-11-1-2-12-8)15(10(19)20)13-3-5-16-6-4-13/h1-2,7H,3-6H2,(H,17,18)(H,19,20)
InChIKeySZQJYDLWUFQGRX-UHFFFAOYSA-N
MW347.52 g/mol
LogP1.18
Rot. Bonds2

About [dithiocarboxy(morpholin-4-yl)amino]-pyrazin-2-ylcarbamodithioic acid

[dithiocarboxy(morpholin-4-yl)amino]-pyrazin-2-ylcarbamodithioic acid (PubChem CID 87511334) has the molecular formula C10H13N5OS4 and a molecular weight of 347.52 g/mol. Its IUPAC name is [dithiocarboxy(morpholin-4-yl)amino]-pyrazin-2-ylcarbamodithioic acid.

Molecular Properties

Compound Name[dithiocarboxy(morpholin-4-yl)amino]-pyrazin-2-ylcarbamodithioic acid
PubChem CID87511334
Molecular FormulaC10H13N5OS4
Molecular Weight347.52 g/mol
Exact Mass347.00
IUPAC Name[dithiocarboxy(morpholin-4-yl)amino]-pyrazin-2-ylcarbamodithioic acid
SMILESS=C(S)N(c1cnccn1)N(C(=S)S)N1CCOCC1
InChIInChI=1S/C10H13N5OS4/c17-9(18)14(8-7-11-1-2-12-8)15(10(19)20)13-3-5-16-6-4-13/h1-2,7H,3-6H2,(H,17,18)(H,19,20)
InChIKeySZQJYDLWUFQGRX-UHFFFAOYSA-N
XLogP1.18
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.52
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [dithiocarboxy(morpholin-4-yl)amino]-pyrazin-2-ylcarbamodithioic acid?
The IUPAC name of [dithiocarboxy(morpholin-4-yl)amino]-pyrazin-2-ylcarbamodithioic acid (CID 87511334) is [dithiocarboxy(morpholin-4-yl)amino]-pyrazin-2-ylcarbamodithioic acid.
What is the SMILES notation for [dithiocarboxy(morpholin-4-yl)amino]-pyrazin-2-ylcarbamodithioic acid?
The canonical SMILES for [dithiocarboxy(morpholin-4-yl)amino]-pyrazin-2-ylcarbamodithioic acid is S=C(S)N(c1cnccn1)N(C(=S)S)N1CCOCC1.
What is the InChIKey of [dithiocarboxy(morpholin-4-yl)amino]-pyrazin-2-ylcarbamodithioic acid?
The InChIKey is SZQJYDLWUFQGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS4/c17-9(18)14(8-7-11-1-2-12-8)15(10(19)20)13-3-5-16-6-4-13/h1-2,7H,3-6H2,(H,17,18)(H,19,20).
What are the key properties of [dithiocarboxy(morpholin-4-yl)amino]-pyrazin-2-ylcarbamodithioic acid?
[dithiocarboxy(morpholin-4-yl)amino]-pyrazin-2-ylcarbamodithioic acid has a molecular weight of 347.52 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dithiocarboxy(morpholin-4-yl)amino]-pyrazin-2-ylcarbamodithioic acid is sourced from PubChem (CID 87511334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).