N-[[4-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]methyl]morpholine-4-sulfonamide

C22H40N8O4S — CID 57111566

IUPACN-[[4-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]methyl]morpholine-4-sulfonamide
SMILESCC(C)Nc1nc(C(N)C2CCC(CNS(=O)(=O)N3CCOCC3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H40N8O4S/c1-16(2)25-21-26-20(27-22(28-21)29-7-11-33-12-8-29)19(23)18-5-3-17(4-6-18)15-24-35(31,32)30-9-13-34-14-10-30/h16-19,24H,3-15,23H2,1-2H3,(H,25,26,27,28)
InChIKeyLCMDZEWLSKKXCQ-UHFFFAOYSA-N
MW512.68 g/mol
LogP0.50
Rot. Bonds9

About N-[[4-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]methyl]morpholine-4-sulfonamide

N-[[4-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]methyl]morpholine-4-sulfonamide (PubChem CID 57111566) has the molecular formula C22H40N8O4S and a molecular weight of 512.68 g/mol. Its IUPAC name is N-[[4-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[[4-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]methyl]morpholine-4-sulfonamide
PubChem CID57111566
Molecular FormulaC22H40N8O4S
Molecular Weight512.68 g/mol
Exact Mass512.29
IUPAC NameN-[[4-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]methyl]morpholine-4-sulfonamide
SMILESCC(C)Nc1nc(C(N)C2CCC(CNS(=O)(=O)N3CCOCC3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H40N8O4S/c1-16(2)25-21-26-20(27-22(28-21)29-7-11-33-12-8-29)19(23)18-5-3-17(4-6-18)15-24-35(31,32)30-9-13-34-14-10-30/h16-19,24H,3-15,23H2,1-2H3,(H,25,26,27,28)
InChIKeyLCMDZEWLSKKXCQ-UHFFFAOYSA-N
XLogP0.50
TPSA147.83 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.68
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[[4-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]methyl]morpholine-4-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-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]methyl]morpholine-4-sulfonamide?
The IUPAC name of N-[[4-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]methyl]morpholine-4-sulfonamide (CID 57111566) is N-[[4-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]methyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[[4-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]methyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[[4-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]methyl]morpholine-4-sulfonamide is CC(C)Nc1nc(C(N)C2CCC(CNS(=O)(=O)N3CCOCC3)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[[4-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]methyl]morpholine-4-sulfonamide?
The InChIKey is LCMDZEWLSKKXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N8O4S/c1-16(2)25-21-26-20(27-22(28-21)29-7-11-33-12-8-29)19(23)18-5-3-17(4-6-18)15-24-35(31,32)30-9-13-34-14-10-30/h16-19,24H,3-15,23H2,1-2H3,(H,25,26,27,28).
What are the key properties of N-[[4-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]methyl]morpholine-4-sulfonamide?
N-[[4-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]methyl]morpholine-4-sulfonamide has a molecular weight of 512.68 g/mol, XLogP of 0.50, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[amino-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methyl]cyclohexyl]methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 57111566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).