2-N,4-N,4-N-trimethyl-6-(3-methylsulfonylthiomorpholin-4-yl)-1,3,5-triazine-2,4-diamine

C11H20N6O2S2 — CID 80834827

IUPAC2-N,4-N,4-N-trimethyl-6-(3-methylsulfonylthiomorpholin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)C)nc(N2CCSCC2S(C)(=O)=O)n1
InChIInChI=1S/C11H20N6O2S2/c1-12-9-13-10(16(2)3)15-11(14-9)17-5-6-20-7-8(17)21(4,18)19/h8H,5-7H2,1-4H3,(H,12,13,14,15)
InChIKeyKQPDXRANRDFJSA-UHFFFAOYSA-N
MW332.46 g/mol
LogP-0.10
Rot. Bonds4

About 2-N,4-N,4-N-trimethyl-6-(3-methylsulfonylthiomorpholin-4-yl)-1,3,5-triazine-2,4-diamine

2-N,4-N,4-N-trimethyl-6-(3-methylsulfonylthiomorpholin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80834827) has the molecular formula C11H20N6O2S2 and a molecular weight of 332.46 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-6-(3-methylsulfonylthiomorpholin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-6-(3-methylsulfonylthiomorpholin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80834827
Molecular FormulaC11H20N6O2S2
Molecular Weight332.46 g/mol
Exact Mass332.11
IUPAC Name2-N,4-N,4-N-trimethyl-6-(3-methylsulfonylthiomorpholin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)C)nc(N2CCSCC2S(C)(=O)=O)n1
InChIInChI=1S/C11H20N6O2S2/c1-12-9-13-10(16(2)3)15-11(14-9)17-5-6-20-7-8(17)21(4,18)19/h8H,5-7H2,1-4H3,(H,12,13,14,15)
InChIKeyKQPDXRANRDFJSA-UHFFFAOYSA-N
XLogP-0.10
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80835693
6-(2,4-dimethylpiperidin-1-yl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80826737
4-(6-bromo-2-pyridinyl)-3-methylsulfonylthiomorpholine
CID 66383475
[1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 102789968
6-(2-cyclopentylpyrrolidin-1-yl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80792754
6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine
CID 80648375
4-(6-chloropyrazin-2-yl)-3-methylsulfonylthiomorpholine
CID 66383089
2-N,4-N,4-N-trimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80764986
6-(3-methylsulfonylthiomorpholin-4-yl)pyridine-2-carbothioamide
CID 66382679
2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carbonitrile
CID 107544773
2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carboximidamide
CID 107550579
N-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)-2-nitroaniline
CID 80834373

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-6-(3-methylsulfonylthiomorpholin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-6-(3-methylsulfonylthiomorpholin-4-yl)-1,3,5-triazine-2,4-diamine (CID 80834827) is 2-N,4-N,4-N-trimethyl-6-(3-methylsulfonylthiomorpholin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-6-(3-methylsulfonylthiomorpholin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-6-(3-methylsulfonylthiomorpholin-4-yl)-1,3,5-triazine-2,4-diamine is CNc1nc(N(C)C)nc(N2CCSCC2S(C)(=O)=O)n1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-6-(3-methylsulfonylthiomorpholin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KQPDXRANRDFJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2S2/c1-12-9-13-10(16(2)3)15-11(14-9)17-5-6-20-7-8(17)21(4,18)19/h8H,5-7H2,1-4H3,(H,12,13,14,15).
What are the key properties of 2-N,4-N,4-N-trimethyl-6-(3-methylsulfonylthiomorpholin-4-yl)-1,3,5-triazine-2,4-diamine?
2-N,4-N,4-N-trimethyl-6-(3-methylsulfonylthiomorpholin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 332.46 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-6-(3-methylsulfonylthiomorpholin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80834827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).