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

C7H12N4O2S2 — CID 104518312

IUPAC4-methylsulfanyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(C)S(C)(=O)=O)n1
InChIInChI=1S/C7H12N4O2S2/c1-4(15(3,12)13)5-9-6(8)11-7(10-5)14-2/h4H,1-3H3,(H2,8,9,10,11)
InChIKeyCRNVYXKDLKTWTI-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.28
Rot. Bonds3

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

4-methylsulfanyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine (PubChem CID 104518312) has the molecular formula C7H12N4O2S2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine
PubChem CID104518312
Molecular FormulaC7H12N4O2S2
Molecular Weight248.33 g/mol
Exact Mass248.04
IUPAC Name4-methylsulfanyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(C)S(C)(=O)=O)n1
InChIInChI=1S/C7H12N4O2S2/c1-4(15(3,12)13)5-9-6(8)11-7(10-5)14-2/h4H,1-3H3,(H2,8,9,10,11)
InChIKeyCRNVYXKDLKTWTI-UHFFFAOYSA-N
XLogP0.28
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-Ethyl-6-[(2-fluoroethyl)sulfanyl]-1,3,5-triazin-2-amine
CID 178243244
N-[4-ethyl-6-(methanesulfonamido)-1,3,5-triazin-2-yl]methanesulfonamide
CID 18343760
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
6-[(Methylsulfonyl)methyl]-1,3,5-triazine-2,4-diamine
CID 21815927
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-Methyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63868021
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
2-(4,6-Diamino-1,3,5-triazin-2-yl)ethanesulfonic acid
CID 73894035

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine (CID 104518312) is 4-methylsulfanyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(C(C)S(C)(=O)=O)n1.
What is the InChIKey of 4-methylsulfanyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The InChIKey is CRNVYXKDLKTWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S2/c1-4(15(3,12)13)5-9-6(8)11-7(10-5)14-2/h4H,1-3H3,(H2,8,9,10,11).
What are the key properties of 4-methylsulfanyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine has a molecular weight of 248.33 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-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 104518312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).