18-thia-2-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17)-tetraen-10-amine

C16H20N2S — CID 744115

IUPAC18-thia-2-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17)-tetraen-10-amine
SMILESNc1c2c(nc3sc4c(c13)CCCC4)CCCCC2
InChIInChI=1S/C16H20N2S/c17-15-10-6-2-1-3-8-12(10)18-16-14(15)11-7-4-5-9-13(11)19-16/h1-9H2,(H2,17,18)
InChIKeyINQNGSMMHYFCSF-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.03
Rot. Bonds

About 18-thia-2-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17)-tetraen-10-amine

18-thia-2-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17)-tetraen-10-amine (PubChem CID 744115) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 18-thia-2-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17)-tetraen-10-amine.

Molecular Properties

Compound Name18-thia-2-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17)-tetraen-10-amine
PubChem CID744115
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name18-thia-2-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17)-tetraen-10-amine
SMILESNc1c2c(nc3sc4c(c13)CCCC4)CCCCC2
InChIInChI=1S/C16H20N2S/c17-15-10-6-2-1-3-8-12(10)18-16-14(15)11-7-4-5-9-13(11)19-16/h1-9H2,(H2,17,18)
InChIKeyINQNGSMMHYFCSF-UHFFFAOYSA-N
XLogP4.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 18-thia-2-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17)-tetraen-10-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 18-thia-2-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17)-tetraen-10-amine?
The IUPAC name of 18-thia-2-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17)-tetraen-10-amine (CID 744115) is 18-thia-2-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17)-tetraen-10-amine.
What is the SMILES notation for 18-thia-2-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17)-tetraen-10-amine?
The canonical SMILES for 18-thia-2-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17)-tetraen-10-amine is Nc1c2c(nc3sc4c(c13)CCCC4)CCCCC2.
What is the InChIKey of 18-thia-2-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17)-tetraen-10-amine?
The InChIKey is INQNGSMMHYFCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c17-15-10-6-2-1-3-8-12(10)18-16-14(15)11-7-4-5-9-13(11)19-16/h1-9H2,(H2,17,18).
What are the key properties of 18-thia-2-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17)-tetraen-10-amine?
18-thia-2-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17)-tetraen-10-amine has a molecular weight of 272.42 g/mol, XLogP of 4.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-thia-2-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17)-tetraen-10-amine is sourced from PubChem (CID 744115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).