N'-(8-morpholin-4-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-13-yl)ethane-1,2-diamine

C18H23N7OS — CID 135300066

IUPACN'-(8-morpholin-4-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-13-yl)ethane-1,2-diamine
SMILESNCCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3
InChIInChI=1S/C18H23N7OS/c19-5-6-20-16-15-14(22-24-23-16)13-11-3-1-2-4-12(11)17(21-18(13)27-15)25-7-9-26-10-8-25/h1-10,19H2,(H,20,22,23)
InChIKeyNZHCIQGTCXVBLX-UHFFFAOYSA-N
MW385.50 g/mol
LogP1.72
Rot. Bonds4

About N'-(8-morpholin-4-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-13-yl)ethane-1,2-diamine

N'-(8-morpholin-4-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-13-yl)ethane-1,2-diamine (PubChem CID 135300066) has the molecular formula C18H23N7OS and a molecular weight of 385.50 g/mol. Its IUPAC name is N'-(8-morpholin-4-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-13-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(8-morpholin-4-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-13-yl)ethane-1,2-diamine
PubChem CID135300066
Molecular FormulaC18H23N7OS
Molecular Weight385.50 g/mol
Exact Mass385.17
IUPAC NameN'-(8-morpholin-4-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-13-yl)ethane-1,2-diamine
SMILESNCCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3
InChIInChI=1S/C18H23N7OS/c19-5-6-20-16-15-14(22-24-23-16)13-11-3-1-2-4-12(11)17(21-18(13)27-15)25-7-9-26-10-8-25/h1-10,19H2,(H,20,22,23)
InChIKeyNZHCIQGTCXVBLX-UHFFFAOYSA-N
XLogP1.72
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N'-(8-morpholin-4-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-13-yl)ethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-(8-morpholin-4-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-13-yl)ethane-1,2-diamine?
The IUPAC name of N'-(8-morpholin-4-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-13-yl)ethane-1,2-diamine (CID 135300066) is N'-(8-morpholin-4-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-13-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(8-morpholin-4-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-13-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(8-morpholin-4-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-13-yl)ethane-1,2-diamine is NCCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3.
What is the InChIKey of N'-(8-morpholin-4-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-13-yl)ethane-1,2-diamine?
The InChIKey is NZHCIQGTCXVBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7OS/c19-5-6-20-16-15-14(22-24-23-16)13-11-3-1-2-4-12(11)17(21-18(13)27-15)25-7-9-26-10-8-25/h1-10,19H2,(H,20,22,23).
What are the key properties of N'-(8-morpholin-4-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-13-yl)ethane-1,2-diamine?
N'-(8-morpholin-4-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-13-yl)ethane-1,2-diamine has a molecular weight of 385.50 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(8-morpholin-4-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-13-yl)ethane-1,2-diamine is sourced from PubChem (CID 135300066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).