N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C11H19N5O3S2 — CID 80881867

IUPACN-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(SCCS(C)(=O)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C11H19N5O3S2/c1-12-9-13-10(16-3-5-19-6-4-16)15-11(14-9)20-7-8-21(2,17)18/h3-8H2,1-2H3,(H,12,13,14,15)
InChIKeyRTNJRRTUKGZKCW-UHFFFAOYSA-N
MW333.44 g/mol
LogP-0.11
Rot. Bonds6

About N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 80881867) has the molecular formula C11H19N5O3S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID80881867
Molecular FormulaC11H19N5O3S2
Molecular Weight333.44 g/mol
Exact Mass333.09
IUPAC NameN-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(SCCS(C)(=O)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C11H19N5O3S2/c1-12-9-13-10(16-3-5-19-6-4-16)15-11(14-9)20-7-8-21(2,17)18/h3-8H2,1-2H3,(H,12,13,14,15)
InChIKeyRTNJRRTUKGZKCW-UHFFFAOYSA-N
XLogP-0.11
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-4-morpholin-4-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80885654
4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872582
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine
CID 80883434
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
CID 2989170
4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80885060
4-hydrazinyl-N-(2-methylsulfonylethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80898859
N-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80882713
N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride
CID 110178400
4-tert-butylsulfanyl-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80887169
4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine
CID 62867376
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80769709

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 80881867) is N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is CNc1nc(SCCS(C)(=O)=O)nc(N2CCOCC2)n1.
What is the InChIKey of N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is RTNJRRTUKGZKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S2/c1-12-9-13-10(16-3-5-19-6-4-16)15-11(14-9)20-7-8-21(2,17)18/h3-8H2,1-2H3,(H,12,13,14,15).
What are the key properties of N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 333.44 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80881867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).