14,14-dimethyl-N-(2-morpholin-4-ylethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine

C18H24N6O2S — CID 665351

IUPAC14,14-dimethyl-N-(2-morpholin-4-ylethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
SMILESCC1(C)Cc2c(sc3nc(NCCN4CCOCC4)n4ncnc4c23)CO1
InChIInChI=1S/C18H24N6O2S/c1-18(2)9-12-13(10-26-18)27-16-14(12)15-20-11-21-24(15)17(22-16)19-3-4-23-5-7-25-8-6-23/h11H,3-10H2,1-2H3,(H,19,22)
InChIKeyJGKYKUDHYOJBST-UHFFFAOYSA-N
MW388.50 g/mol
LogP1.93
Rot. Bonds4

About 14,14-dimethyl-N-(2-morpholin-4-ylethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine

14,14-dimethyl-N-(2-morpholin-4-ylethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine (PubChem CID 665351) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 14,14-dimethyl-N-(2-morpholin-4-ylethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine.

Molecular Properties

Compound Name14,14-dimethyl-N-(2-morpholin-4-ylethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
PubChem CID665351
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name14,14-dimethyl-N-(2-morpholin-4-ylethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
SMILESCC1(C)Cc2c(sc3nc(NCCN4CCOCC4)n4ncnc4c23)CO1
InChIInChI=1S/C18H24N6O2S/c1-18(2)9-12-13(10-26-18)27-16-14(12)15-20-11-21-24(15)17(22-16)19-3-4-23-5-7-25-8-6-23/h11H,3-10H2,1-2H3,(H,19,22)
InChIKeyJGKYKUDHYOJBST-UHFFFAOYSA-N
XLogP1.93
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 14,14-dimethyl-N-(2-morpholin-4-ylethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-N-(2-morpholin-4-ylethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine?
The IUPAC name of 14,14-dimethyl-N-(2-morpholin-4-ylethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine (CID 665351) is 14,14-dimethyl-N-(2-morpholin-4-ylethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine.
What is the SMILES notation for 14,14-dimethyl-N-(2-morpholin-4-ylethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine?
The canonical SMILES for 14,14-dimethyl-N-(2-morpholin-4-ylethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine is CC1(C)Cc2c(sc3nc(NCCN4CCOCC4)n4ncnc4c23)CO1.
What is the InChIKey of 14,14-dimethyl-N-(2-morpholin-4-ylethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine?
The InChIKey is JGKYKUDHYOJBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-18(2)9-12-13(10-26-18)27-16-14(12)15-20-11-21-24(15)17(22-16)19-3-4-23-5-7-25-8-6-23/h11H,3-10H2,1-2H3,(H,19,22).
What are the key properties of 14,14-dimethyl-N-(2-morpholin-4-ylethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine?
14,14-dimethyl-N-(2-morpholin-4-ylethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine has a molecular weight of 388.50 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-N-(2-morpholin-4-ylethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine is sourced from PubChem (CID 665351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).