N-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine

C22H24N6O2S2 — CID 660344

IUPACN-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[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(NCc5ccco5)nnnc4c23)CS1
InChIInChI=1S/C22H24N6O2S2/c1-22(2)10-14-15(12-31-22)20(28-5-8-29-9-6-28)24-21-16(14)17-18(32-21)19(26-27-25-17)23-11-13-4-3-7-30-13/h3-4,7H,5-6,8-12H2,1-2H3,(H,23,25,26)
InChIKeyAMQHKHNFHSKNBX-UHFFFAOYSA-N
MW468.61 g/mol
LogP4.24
Rot. Bonds4

About N-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine

N-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine (PubChem CID 660344) has the molecular formula C22H24N6O2S2 and a molecular weight of 468.61 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
PubChem CID660344
Molecular FormulaC22H24N6O2S2
Molecular Weight468.61 g/mol
Exact Mass468.14
IUPAC NameN-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[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(NCc5ccco5)nnnc4c23)CS1
InChIInChI=1S/C22H24N6O2S2/c1-22(2)10-14-15(12-31-22)20(28-5-8-29-9-6-28)24-21-16(14)17-18(32-21)19(26-27-25-17)23-11-13-4-3-7-30-13/h3-4,7H,5-6,8-12H2,1-2H3,(H,23,25,26)
InChIKeyAMQHKHNFHSKNBX-UHFFFAOYSA-N
XLogP4.24
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[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 N-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine (CID 660344) is N-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[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 N-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[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(NCc5ccco5)nnnc4c23)CS1.
What is the InChIKey of N-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine?
The InChIKey is AMQHKHNFHSKNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S2/c1-22(2)10-14-15(12-31-22)20(28-5-8-29-9-6-28)24-21-16(14)17-18(32-21)19(26-27-25-17)23-11-13-4-3-7-30-13/h3-4,7H,5-6,8-12H2,1-2H3,(H,23,25,26).
What are the key properties of N-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine?
N-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[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 468.61 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[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 660344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).