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

C23H24N4O3S — CID 3271684

IUPAC8-(furan-2-yl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
SMILESCC1(C)Cc2c(c(-c3ccco3)nc3sc4c(NCC5CCCO5)ncnc4c23)CO1
InChIInChI=1S/C23H24N4O3S/c1-23(2)9-14-15(11-30-23)18(16-6-4-8-29-16)27-22-17(14)19-20(31-22)21(26-12-25-19)24-10-13-5-3-7-28-13/h4,6,8,12-13H,3,5,7,9-11H2,1-2H3,(H,24,25,26)
InChIKeyDORNVAFGAGAUGV-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.94
Rot. Bonds4

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

8-(furan-2-yl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine (PubChem CID 3271684) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 8-(furan-2-yl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine.

Molecular Properties

Compound Name8-(furan-2-yl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
PubChem CID3271684
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name8-(furan-2-yl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
SMILESCC1(C)Cc2c(c(-c3ccco3)nc3sc4c(NCC5CCCO5)ncnc4c23)CO1
InChIInChI=1S/C23H24N4O3S/c1-23(2)9-14-15(11-30-23)18(16-6-4-8-29-16)27-22-17(14)19-20(31-22)21(26-12-25-19)24-10-13-5-3-7-28-13/h4,6,8,12-13H,3,5,7,9-11H2,1-2H3,(H,24,25,26)
InChIKeyDORNVAFGAGAUGV-UHFFFAOYSA-N
XLogP4.94
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(furan-2-yl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[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 8-(furan-2-yl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine?
The IUPAC name of 8-(furan-2-yl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine (CID 3271684) is 8-(furan-2-yl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[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 8-(furan-2-yl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine?
The canonical SMILES for 8-(furan-2-yl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[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(-c3ccco3)nc3sc4c(NCC5CCCO5)ncnc4c23)CO1.
What is the InChIKey of 8-(furan-2-yl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine?
The InChIKey is DORNVAFGAGAUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-23(2)9-14-15(11-30-23)18(16-6-4-8-29-16)27-22-17(14)19-20(31-22)21(26-12-25-19)24-10-13-5-3-7-28-13/h4,6,8,12-13H,3,5,7,9-11H2,1-2H3,(H,24,25,26).
What are the key properties of 8-(furan-2-yl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine?
8-(furan-2-yl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[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 436.54 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[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 3271684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).