4,4-dimethyl-8-morpholin-4-yl-N-(2-piperidin-1-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine

C25H34N6O2S — CID 11525902

IUPAC4,4-dimethyl-8-morpholin-4-yl-N-(2-piperidin-1-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
SMILESCC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NCCN5CCCCC5)ncnc4c23)CO1
InChIInChI=1S/C25H34N6O2S/c1-25(2)14-17-18(15-33-25)23(31-10-12-32-13-11-31)29-24-19(17)20-21(34-24)22(28-16-27-20)26-6-9-30-7-4-3-5-8-30/h16H,3-15H2,1-2H3,(H,26,27,28)
InChIKeyBKXJRDHFHIAHRW-UHFFFAOYSA-N
MW482.65 g/mol
LogP3.83
Rot. Bonds5

About 4,4-dimethyl-8-morpholin-4-yl-N-(2-piperidin-1-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine

4,4-dimethyl-8-morpholin-4-yl-N-(2-piperidin-1-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine (PubChem CID 11525902) has the molecular formula C25H34N6O2S and a molecular weight of 482.65 g/mol. Its IUPAC name is 4,4-dimethyl-8-morpholin-4-yl-N-(2-piperidin-1-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine.

Molecular Properties

Compound Name4,4-dimethyl-8-morpholin-4-yl-N-(2-piperidin-1-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
PubChem CID11525902
Molecular FormulaC25H34N6O2S
Molecular Weight482.65 g/mol
Exact Mass482.25
IUPAC Name4,4-dimethyl-8-morpholin-4-yl-N-(2-piperidin-1-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
SMILESCC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NCCN5CCCCC5)ncnc4c23)CO1
InChIInChI=1S/C25H34N6O2S/c1-25(2)14-17-18(15-33-25)23(31-10-12-32-13-11-31)29-24-19(17)20-21(34-24)22(28-16-27-20)26-6-9-30-7-4-3-5-8-30/h16H,3-15H2,1-2H3,(H,26,27,28)
InChIKeyBKXJRDHFHIAHRW-UHFFFAOYSA-N
XLogP3.83
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4,4-dimethyl-8-morpholin-4-yl-N-(2-piperidin-1-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-8-morpholin-4-yl-N-(2-piperidin-1-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine?
The IUPAC name of 4,4-dimethyl-8-morpholin-4-yl-N-(2-piperidin-1-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine (CID 11525902) is 4,4-dimethyl-8-morpholin-4-yl-N-(2-piperidin-1-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine.
What is the SMILES notation for 4,4-dimethyl-8-morpholin-4-yl-N-(2-piperidin-1-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine?
The canonical SMILES for 4,4-dimethyl-8-morpholin-4-yl-N-(2-piperidin-1-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine is CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NCCN5CCCCC5)ncnc4c23)CO1.
What is the InChIKey of 4,4-dimethyl-8-morpholin-4-yl-N-(2-piperidin-1-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine?
The InChIKey is BKXJRDHFHIAHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2S/c1-25(2)14-17-18(15-33-25)23(31-10-12-32-13-11-31)29-24-19(17)20-21(34-24)22(28-16-27-20)26-6-9-30-7-4-3-5-8-30/h16H,3-15H2,1-2H3,(H,26,27,28).
What are the key properties of 4,4-dimethyl-8-morpholin-4-yl-N-(2-piperidin-1-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine?
4,4-dimethyl-8-morpholin-4-yl-N-(2-piperidin-1-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine has a molecular weight of 482.65 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-8-morpholin-4-yl-N-(2-piperidin-1-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine is sourced from PubChem (CID 11525902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).