N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide

C11H21N5O3S — CID 59917184

IUPACN-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN(CCO)c1nc(C)nc(C)n1
InChIInChI=1S/C11H21N5O3S/c1-4-20(18,19)12-5-6-16(7-8-17)11-14-9(2)13-10(3)15-11/h12,17H,4-8H2,1-3H3
InChIKeyWSLANVWYONKXEN-UHFFFAOYSA-N
MW303.39 g/mol
LogP-0.77
Rot. Bonds8

About N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide

N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide (PubChem CID 59917184) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide
PubChem CID59917184
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC NameN-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN(CCO)c1nc(C)nc(C)n1
InChIInChI=1S/C11H21N5O3S/c1-4-20(18,19)12-5-6-16(7-8-17)11-14-9(2)13-10(3)15-11/h12,17H,4-8H2,1-3H3
InChIKeyWSLANVWYONKXEN-UHFFFAOYSA-N
XLogP-0.77
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide (CID 59917184) is N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCN(CCO)c1nc(C)nc(C)n1.
What is the InChIKey of N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide?
The InChIKey is WSLANVWYONKXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-4-20(18,19)12-5-6-16(7-8-17)11-14-9(2)13-10(3)15-11/h12,17H,4-8H2,1-3H3.
What are the key properties of N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide?
N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide has a molecular weight of 303.39 g/mol, XLogP of -0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethyl-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide is sourced from PubChem (CID 59917184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).