4-(13-ethyl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaen-8-yl)morpholine

C18H21N5OS — CID 159232559

IUPAC4-(13-ethyl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaen-8-yl)morpholine
SMILESCCc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3
InChIInChI=1S/C18H21N5OS/c1-2-13-16-15(21-22-20-13)14-11-5-3-4-6-12(11)17(19-18(14)25-16)23-7-9-24-10-8-23/h2-10H2,1H3
InChIKeyOGJYOUYQLHACAV-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.91
Rot. Bonds2

About 4-(13-ethyl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaen-8-yl)morpholine

4-(13-ethyl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaen-8-yl)morpholine (PubChem CID 159232559) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 4-(13-ethyl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaen-8-yl)morpholine.

Molecular Properties

Compound Name4-(13-ethyl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaen-8-yl)morpholine
PubChem CID159232559
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name4-(13-ethyl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaen-8-yl)morpholine
SMILESCCc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3
InChIInChI=1S/C18H21N5OS/c1-2-13-16-15(21-22-20-13)14-11-5-3-4-6-12(11)17(19-18(14)25-16)23-7-9-24-10-8-23/h2-10H2,1H3
InChIKeyOGJYOUYQLHACAV-UHFFFAOYSA-N
XLogP2.91
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(13-ethyl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaen-8-yl)morpholine with MolForge

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Related Compounds

Unc10201652
CID 1071983
N-methyl-13-piperazin-1-yl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-8-amine
CID 134201425
5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-8(9H)-thione
CID 1325691
2-(4-Amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
CID 1504905
(5-Morpholin-4-yl-1,2,3,4-tetrahydro-7-thia-6,9,11-triaza-benzo[c]fluoren-8-ylsulfanyl)-acetic acid ethyl ester
CID 3362642
4-(7,9-Dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)morpholine
CID 736554
2,2-Dimethyl-5-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrimidino[4'',5'':4,5]thieno[2,3-c]isoquinolin-8-amine
CID 11511603
4,4-dimethyl-N-(2-morpholin-4-ylethyl)-8-pyrrolidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
CID 11532832
2,2-Dimethyl-5-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrimido[4'',5'':4,5]thieno[2,3-c]isoquinolin-8-amine
CID 11641556
5-Isobutyl-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
CID 11662453
2,2,5-Trimethyl-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrimido[4'',5'':4,5]thieno[2,3-c]isoquinolin-8-amine
CID 11711290
2-[(4,4-Dimethyl-8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)-(2-morpholin-4-ylethyl)amino]ethanol
CID 46915888

Frequently Asked Questions

What is the IUPAC name of 4-(13-ethyl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaen-8-yl)morpholine?
The IUPAC name of 4-(13-ethyl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaen-8-yl)morpholine (CID 159232559) is 4-(13-ethyl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaen-8-yl)morpholine.
What is the SMILES notation for 4-(13-ethyl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaen-8-yl)morpholine?
The canonical SMILES for 4-(13-ethyl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaen-8-yl)morpholine is CCc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3.
What is the InChIKey of 4-(13-ethyl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaen-8-yl)morpholine?
The InChIKey is OGJYOUYQLHACAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-2-13-16-15(21-22-20-13)14-11-5-3-4-6-12(11)17(19-18(14)25-16)23-7-9-24-10-8-23/h2-10H2,1H3.
What are the key properties of 4-(13-ethyl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaen-8-yl)morpholine?
4-(13-ethyl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaen-8-yl)morpholine has a molecular weight of 355.47 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(13-ethyl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,14,16-hexaen-8-yl)morpholine is sourced from PubChem (CID 159232559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).