4-methylsulfanyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine

C6H10N4O2S2 — CID 83085369

IUPAC4-methylsulfanyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C6H10N4O2S2/c1-13-6-9-4(3-14(2,11)12)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10)
InChIKeyWOIBXAOXSNDKCP-UHFFFAOYSA-N
MW234.31 g/mol
LogP-0.28
Rot. Bonds3

About 4-methylsulfanyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine

4-methylsulfanyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine (PubChem CID 83085369) has the molecular formula C6H10N4O2S2 and a molecular weight of 234.31 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
PubChem CID83085369
Molecular FormulaC6H10N4O2S2
Molecular Weight234.31 g/mol
Exact Mass234.02
IUPAC Name4-methylsulfanyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C6H10N4O2S2/c1-13-6-9-4(3-14(2,11)12)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10)
InChIKeyWOIBXAOXSNDKCP-UHFFFAOYSA-N
XLogP-0.28
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(Ethylsulfanyl)-6-Methyl-1,3,5-Triazin-2-Amine
CID 2726596
3-[(4-Methyl-6-methylsulfanyl-1,3,5-triazin-2-yl)sulfanyl]propane-1-sulfonic acid
CID 58912198
4-Methoxy-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 70489877
4-Methyl-6-methylsulfonyl-1,3,5-triazin-2-amine
CID 89116303
[4-Amino-6-(sulfomethyl)-1,3,5-triazin-2-yl]methanesulfonic acid
CID 172795411
6-(Methylsulfinylmethyl)-1,3,5-triazine-2,4-diamine
CID 21815920
6-[(Methylsulfonyl)methyl]-1,3,5-triazine-2,4-diamine
CID 21815927
4-(Methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63866964
4-(Methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine
CID 63866977
4-Methyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63868021
4-Ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63868988
4-Methylsulfanyl-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
CID 83084828

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine (CID 83085369) is 4-methylsulfanyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(CS(C)(=O)=O)n1.
What is the InChIKey of 4-methylsulfanyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is WOIBXAOXSNDKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S2/c1-13-6-9-4(3-14(2,11)12)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10).
What are the key properties of 4-methylsulfanyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 234.31 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83085369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).