4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine

C24H36N8O5S — CID 162660548

IUPAC4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
SMILESCOc1ccccc1S(=O)(=O)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C24H36N8O5S/c1-35-20-4-2-3-5-21(20)38(33,34)32-10-8-30(9-11-32)23-26-22(25-6-7-29-12-16-36-17-13-29)27-24(28-23)31-14-18-37-19-15-31/h2-5H,6-19H2,1H3,(H,25,26,27,28)
InChIKeyBOHKZPRWJLGCNK-UHFFFAOYSA-N
MW548.67 g/mol
LogP-0.03
Rot. Bonds9

About 4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine

4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine (PubChem CID 162660548) has the molecular formula C24H36N8O5S and a molecular weight of 548.67 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
PubChem CID162660548
Molecular FormulaC24H36N8O5S
Molecular Weight548.67 g/mol
Exact Mass548.25
IUPAC Name4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
SMILESCOc1ccccc1S(=O)(=O)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C24H36N8O5S/c1-35-20-4-2-3-5-21(20)38(33,34)32-10-8-30(9-11-32)23-26-22(25-6-7-29-12-16-36-17-13-29)27-24(28-23)31-14-18-37-19-15-31/h2-5H,6-19H2,1H3,(H,25,26,27,28)
InChIKeyBOHKZPRWJLGCNK-UHFFFAOYSA-N
XLogP-0.03
TPSA125.49 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.67
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine (CID 162660548) is 4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine is COc1ccccc1S(=O)(=O)N1CCN(c2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine?
The InChIKey is BOHKZPRWJLGCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N8O5S/c1-35-20-4-2-3-5-21(20)38(33,34)32-10-8-30(9-11-32)23-26-22(25-6-7-29-12-16-36-17-13-29)27-24(28-23)31-14-18-37-19-15-31/h2-5H,6-19H2,1H3,(H,25,26,27,28).
What are the key properties of 4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine?
4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine has a molecular weight of 548.67 g/mol, XLogP of -0.03, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 162660548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).