9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-amine

C16H20N2S — CID 882871

IUPAC9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-amine
SMILESNc1c2c(nc3sc4c(c13)CCCCC4)CCCC2
InChIInChI=1S/C16H20N2S/c17-15-10-6-4-5-8-12(10)18-16-14(15)11-7-2-1-3-9-13(11)19-16/h1-9H2,(H2,17,18)
InChIKeyVCRYPZHLSGMRQY-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.03
Rot. Bonds

About 9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-amine

9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-amine (PubChem CID 882871) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-amine.

Molecular Properties

Compound Name9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-amine
PubChem CID882871
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-amine
SMILESNc1c2c(nc3sc4c(c13)CCCCC4)CCCC2
InChIInChI=1S/C16H20N2S/c17-15-10-6-4-5-8-12(10)18-16-14(15)11-7-2-1-3-9-13(11)19-16/h1-9H2,(H2,17,18)
InChIKeyVCRYPZHLSGMRQY-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 9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-amine with MolForge

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Related Compounds

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5,6,8,9,10,11-Hexahydrobenzo[h][1]benzothieno[2,3-b]quinolin-7-amine
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CID 4001738
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CID 2330392
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CID 122186661
3-Ethyl-2-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-b]pyridin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-amine?
The IUPAC name of 9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-amine (CID 882871) is 9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-amine.
What is the SMILES notation for 9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-amine?
The canonical SMILES for 9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-amine is Nc1c2c(nc3sc4c(c13)CCCCC4)CCCC2.
What is the InChIKey of 9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-amine?
The InChIKey is VCRYPZHLSGMRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c17-15-10-6-4-5-8-12(10)18-16-14(15)11-7-2-1-3-9-13(11)19-16/h1-9H2,(H2,17,18).
What are the key properties of 9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-amine?
9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-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 9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-amine is sourced from PubChem (CID 882871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).