2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide

C13H20N6O3S — CID 845211

IUPAC2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20N6O3S/c14-10(20)9-23-13-16-11(18-1-5-21-6-2-18)15-12(17-13)19-3-7-22-8-4-19/h1-9H2,(H2,14,20)
InChIKeyMOENNFRCOFABQC-UHFFFAOYSA-N
MW340.41 g/mol
LogP-0.88
Rot. Bonds5

About 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide

2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide (PubChem CID 845211) has the molecular formula C13H20N6O3S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide
PubChem CID845211
Molecular FormulaC13H20N6O3S
Molecular Weight340.41 g/mol
Exact Mass340.13
IUPAC Name2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20N6O3S/c14-10(20)9-23-13-16-11(18-1-5-21-6-2-18)15-12(17-13)19-3-7-22-8-4-19/h1-9H2,(H2,14,20)
InChIKeyMOENNFRCOFABQC-UHFFFAOYSA-N
XLogP-0.88
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide (CID 845211) is 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide is NC(=O)CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide?
The InChIKey is MOENNFRCOFABQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O3S/c14-10(20)9-23-13-16-11(18-1-5-21-6-2-18)15-12(17-13)19-3-7-22-8-4-19/h1-9H2,(H2,14,20).
What are the key properties of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide?
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide has a molecular weight of 340.41 g/mol, XLogP of -0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 845211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).