1-[(1R)-1-methylsulfanylethyl]-1,3,5-triazinane-2,4,6-trione

C6H9N3O3S — CID 163984584

IUPAC1-[(1R)-1-methylsulfanylethyl]-1,3,5-triazinane-2,4,6-trione
SMILESCS[C@H](C)n1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H9N3O3S/c1-3(13-2)9-5(11)7-4(10)8-6(9)12/h3H,1-2H3,(H2,7,8,10,11,12)/t3-/m1/s1
InChIKeyTVDIXPGTVGZDAE-GSVOUGTGSA-N
MW203.22 g/mol
LogP-0.89
Rot. Bonds2

About 1-[(1R)-1-methylsulfanylethyl]-1,3,5-triazinane-2,4,6-trione

1-[(1R)-1-methylsulfanylethyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 163984584) has the molecular formula C6H9N3O3S and a molecular weight of 203.22 g/mol. Its IUPAC name is 1-[(1R)-1-methylsulfanylethyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[(1R)-1-methylsulfanylethyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID163984584
Molecular FormulaC6H9N3O3S
Molecular Weight203.22 g/mol
Exact Mass203.04
IUPAC Name1-[(1R)-1-methylsulfanylethyl]-1,3,5-triazinane-2,4,6-trione
SMILESCS[C@H](C)n1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H9N3O3S/c1-3(13-2)9-5(11)7-4(10)8-6(9)12/h3H,1-2H3,(H2,7,8,10,11,12)/t3-/m1/s1
InChIKeyTVDIXPGTVGZDAE-GSVOUGTGSA-N
XLogP-0.89
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-methylsulfanylethyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[(1R)-1-methylsulfanylethyl]-1,3,5-triazinane-2,4,6-trione (CID 163984584) is 1-[(1R)-1-methylsulfanylethyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[(1R)-1-methylsulfanylethyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[(1R)-1-methylsulfanylethyl]-1,3,5-triazinane-2,4,6-trione is CS[C@H](C)n1c(=O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-[(1R)-1-methylsulfanylethyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is TVDIXPGTVGZDAE-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H9N3O3S/c1-3(13-2)9-5(11)7-4(10)8-6(9)12/h3H,1-2H3,(H2,7,8,10,11,12)/t3-/m1/s1.
What are the key properties of 1-[(1R)-1-methylsulfanylethyl]-1,3,5-triazinane-2,4,6-trione?
1-[(1R)-1-methylsulfanylethyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 203.22 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-methylsulfanylethyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 163984584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).