2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetate

C10H13N4O4S- — CID 1260687

IUPAC2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetate
SMILESCOc1nc(SCC(=O)[O-])nc(N2CCOCC2)n1
InChIInChI=1S/C10H14N4O4S/c1-17-9-11-8(14-2-4-18-5-3-14)12-10(13-9)19-6-7(15)16/h2-6H2,1H3,(H,15,16)/p-1
InChIKeyNZBCSHHTAQQTDQ-UHFFFAOYSA-M
MW285.31 g/mol
LogP-1.44
Rot. Bonds5

About 2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetate

2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetate (PubChem CID 1260687) has the molecular formula C10H13N4O4S- and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Name2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetate
PubChem CID1260687
Molecular FormulaC10H13N4O4S-
Molecular Weight285.31 g/mol
Exact Mass285.07
IUPAC Name2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetate
SMILESCOc1nc(SCC(=O)[O-])nc(N2CCOCC2)n1
InChIInChI=1S/C10H14N4O4S/c1-17-9-11-8(14-2-4-18-5-3-14)12-10(13-9)19-6-7(15)16/h2-6H2,1H3,(H,15,16)/p-1
InChIKeyNZBCSHHTAQQTDQ-UHFFFAOYSA-M
XLogP-1.44
TPSA100.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 5-1.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetate?
The IUPAC name of 2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetate (CID 1260687) is 2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetate.
What is the SMILES notation for 2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetate?
The canonical SMILES for 2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetate is COc1nc(SCC(=O)[O-])nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetate?
The InChIKey is NZBCSHHTAQQTDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14N4O4S/c1-17-9-11-8(14-2-4-18-5-3-14)12-10(13-9)19-6-7(15)16/h2-6H2,1H3,(H,15,16)/p-1.
What are the key properties of 2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetate?
2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetate has a molecular weight of 285.31 g/mol, XLogP of -1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetate is sourced from PubChem (CID 1260687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).