4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]thiomorpholine

C22H26N6O2S2 — CID 163446821

IUPAC4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]thiomorpholine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCSCC4)c4ncccc4n3)CC2)cc1
InChIInChI=1S/C22H26N6O2S2/c1-17-4-6-18(7-5-17)32(29,30)28-11-9-27(10-12-28)22-24-19-3-2-8-23-20(19)21(25-22)26-13-15-31-16-14-26/h2-8H,9-16H2,1H3
InChIKeyBDEYHXBMZFSYQG-UHFFFAOYSA-N
MW470.62 g/mol
LogP2.40
Rot. Bonds4

About 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]thiomorpholine

4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]thiomorpholine (PubChem CID 163446821) has the molecular formula C22H26N6O2S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]thiomorpholine.

Molecular Properties

Compound Name4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]thiomorpholine
PubChem CID163446821
Molecular FormulaC22H26N6O2S2
Molecular Weight470.62 g/mol
Exact Mass470.16
IUPAC Name4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]thiomorpholine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCSCC4)c4ncccc4n3)CC2)cc1
InChIInChI=1S/C22H26N6O2S2/c1-17-4-6-18(7-5-17)32(29,30)28-11-9-27(10-12-28)22-24-19-3-2-8-23-20(19)21(25-22)26-13-15-31-16-14-26/h2-8H,9-16H2,1H3
InChIKeyBDEYHXBMZFSYQG-UHFFFAOYSA-N
XLogP2.40
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]thiomorpholine?
The IUPAC name of 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]thiomorpholine (CID 163446821) is 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]thiomorpholine.
What is the SMILES notation for 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]thiomorpholine?
The canonical SMILES for 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]thiomorpholine is Cc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCSCC4)c4ncccc4n3)CC2)cc1.
What is the InChIKey of 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]thiomorpholine?
The InChIKey is BDEYHXBMZFSYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S2/c1-17-4-6-18(7-5-17)32(29,30)28-11-9-27(10-12-28)22-24-19-3-2-8-23-20(19)21(25-22)26-13-15-31-16-14-26/h2-8H,9-16H2,1H3.
What are the key properties of 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]thiomorpholine?
4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]thiomorpholine has a molecular weight of 470.62 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrido[3,2-d]pyrimidin-4-yl]thiomorpholine is sourced from PubChem (CID 163446821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).