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

C8H14N4O2S2 — CID 83084828

IUPAC4-methylsulfanyl-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O2S2/c1-8(2,16(4,13)14)5-10-6(9)12-7(11-5)15-3/h1-4H3,(H2,9,10,11,12)
InChIKeyPXFQMVWMAUATOU-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.46
Rot. Bonds3

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

4-methylsulfanyl-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 83084828) has the molecular formula C8H14N4O2S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
PubChem CID83084828
Molecular FormulaC8H14N4O2S2
Molecular Weight262.36 g/mol
Exact Mass262.06
IUPAC Name4-methylsulfanyl-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O2S2/c1-8(2,16(4,13)14)5-10-6(9)12-7(11-5)15-3/h1-4H3,(H2,9,10,11,12)
InChIKeyPXFQMVWMAUATOU-UHFFFAOYSA-N
XLogP0.46
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(Methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine
CID 63866977
4-(Methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63867607
4-Tert-butyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63868882
4-Ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63868988
4-(1,1-Dioxothiolan-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084446
4-Methylsulfanyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 83085369
4-Chloro-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
CID 83240220
4-(1,1-Dioxothian-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 104518311
4-Methylsulfanyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine
CID 104518312
6-(1-Methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 104518317
4-Chloro-6-(1-methanesulfonylethyl)-1,3,5-triazin-2-amine
CID 104523076
6-(2-Methylsulfonylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 112681369

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine (CID 83084828) is 4-methylsulfanyl-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(C(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of 4-methylsulfanyl-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is PXFQMVWMAUATOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S2/c1-8(2,16(4,13)14)5-10-6(9)12-7(11-5)15-3/h1-4H3,(H2,9,10,11,12).
What are the key properties of 4-methylsulfanyl-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 262.36 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(2-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).