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

C13H23N5O4S — CID 121016867

IUPACN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nc(OC)nc(N2CCOCC2)n1
InChIInChI=1S/C13H23N5O4S/c1-3-4-9-23(19,20)14-10-11-15-12(17-13(16-11)21-2)18-5-7-22-8-6-18/h14H,3-10H2,1-2H3
InChIKeyPFCSGUABCCYUIY-UHFFFAOYSA-N
MW345.43 g/mol
LogP-0.06
Rot. Bonds8

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

N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide (PubChem CID 121016867) has the molecular formula C13H23N5O4S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide
PubChem CID121016867
Molecular FormulaC13H23N5O4S
Molecular Weight345.43 g/mol
Exact Mass345.15
IUPAC NameN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nc(OC)nc(N2CCOCC2)n1
InChIInChI=1S/C13H23N5O4S/c1-3-4-9-23(19,20)14-10-11-15-12(17-13(16-11)21-2)18-5-7-22-8-6-18/h14H,3-10H2,1-2H3
InChIKeyPFCSGUABCCYUIY-UHFFFAOYSA-N
XLogP-0.06
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide 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-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide (CID 121016867) is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide is CCCCS(=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]butane-1-sulfonamide?
The InChIKey is PFCSGUABCCYUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O4S/c1-3-4-9-23(19,20)14-10-11-15-12(17-13(16-11)21-2)18-5-7-22-8-6-18/h14H,3-10H2,1-2H3.
What are the key properties of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide?
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]butane-1-sulfonamide has a molecular weight of 345.43 g/mol, XLogP of -0.06, 8 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]butane-1-sulfonamide is sourced from PubChem (CID 121016867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).