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

C10H14N4O4S — CID 1260688

IUPAC2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid
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)
InChIKeyNZBCSHHTAQQTDQ-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.11
Rot. Bonds5

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

2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid (PubChem CID 1260688) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid
PubChem CID1260688
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid
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)
InChIKeyNZBCSHHTAQQTDQ-UHFFFAOYSA-N
XLogP-0.11
TPSA97.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]acetic acid?
The IUPAC name of 2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid (CID 1260688) is 2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid 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]acetic acid?
The InChIKey is NZBCSHHTAQQTDQ-UHFFFAOYSA-N. 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).
What are the key properties of 2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid?
2-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetic acid has a molecular weight of 286.31 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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]acetic acid is sourced from PubChem (CID 1260688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).