N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide

C11H19N5O4S — CID 122253766

IUPACN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nc(OC)nc(N2CCOCC2)n1
InChIInChI=1S/C11H19N5O4S/c1-3-21(17,18)12-8-9-13-10(15-11(14-9)19-2)16-4-6-20-7-5-16/h12H,3-8H2,1-2H3
InChIKeyXDJJBMYGENJJIG-UHFFFAOYSA-N
MW317.37 g/mol
LogP-0.84
Rot. Bonds6

About N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide

N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide (PubChem CID 122253766) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide
PubChem CID122253766
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC NameN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nc(OC)nc(N2CCOCC2)n1
InChIInChI=1S/C11H19N5O4S/c1-3-21(17,18)12-8-9-13-10(15-11(14-9)19-2)16-4-6-20-7-5-16/h12H,3-8H2,1-2H3
InChIKeyXDJJBMYGENJJIG-UHFFFAOYSA-N
XLogP-0.84
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide (CID 122253766) is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1nc(OC)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide?
The InChIKey is XDJJBMYGENJJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-3-21(17,18)12-8-9-13-10(15-11(14-9)19-2)16-4-6-20-7-5-16/h12H,3-8H2,1-2H3.
What are the key properties of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide?
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide has a molecular weight of 317.37 g/mol, XLogP of -0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 122253766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).