3,3-dimethyl-7-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine

C24H32N6O2S — CID 11719711

IUPAC3,3-dimethyl-7-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
SMILESCC1(C)CCc2c(N3CCOCC3)nc3sc4c(NCCN5CCOCC5)ncnc4c3c21
InChIInChI=1S/C24H32N6O2S/c1-24(2)4-3-16-18(24)17-19-20(33-23(17)28-22(16)30-9-13-32-14-10-30)21(27-15-26-19)25-5-6-29-7-11-31-12-8-29/h15H,3-14H2,1-2H3,(H,25,26,27)
InChIKeyJCJLPYMKWAKRDW-UHFFFAOYSA-N
MW468.63 g/mol
LogP3.04
Rot. Bonds5

About 3,3-dimethyl-7-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine

3,3-dimethyl-7-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine (PubChem CID 11719711) has the molecular formula C24H32N6O2S and a molecular weight of 468.63 g/mol. Its IUPAC name is 3,3-dimethyl-7-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine.

Molecular Properties

Compound Name3,3-dimethyl-7-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
PubChem CID11719711
Molecular FormulaC24H32N6O2S
Molecular Weight468.63 g/mol
Exact Mass468.23
IUPAC Name3,3-dimethyl-7-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
SMILESCC1(C)CCc2c(N3CCOCC3)nc3sc4c(NCCN5CCOCC5)ncnc4c3c21
InChIInChI=1S/C24H32N6O2S/c1-24(2)4-3-16-18(24)17-19-20(33-23(17)28-22(16)30-9-13-32-14-10-30)21(27-15-26-19)25-5-6-29-7-11-31-12-8-29/h15H,3-14H2,1-2H3,(H,25,26,27)
InChIKeyJCJLPYMKWAKRDW-UHFFFAOYSA-N
XLogP3.04
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.63
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3,3-dimethyl-7-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-7-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine?
The IUPAC name of 3,3-dimethyl-7-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine (CID 11719711) is 3,3-dimethyl-7-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine.
What is the SMILES notation for 3,3-dimethyl-7-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine?
The canonical SMILES for 3,3-dimethyl-7-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine is CC1(C)CCc2c(N3CCOCC3)nc3sc4c(NCCN5CCOCC5)ncnc4c3c21.
What is the InChIKey of 3,3-dimethyl-7-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine?
The InChIKey is JCJLPYMKWAKRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2S/c1-24(2)4-3-16-18(24)17-19-20(33-23(17)28-22(16)30-9-13-32-14-10-30)21(27-15-26-19)25-5-6-29-7-11-31-12-8-29/h15H,3-14H2,1-2H3,(H,25,26,27).
What are the key properties of 3,3-dimethyl-7-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine?
3,3-dimethyl-7-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine has a molecular weight of 468.63 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-7-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine is sourced from PubChem (CID 11719711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).