19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine

C17H22N2S — CID 2330392

IUPAC19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine
SMILESNc1c2c(nc3sc4c(c13)CCCC4)CCCCCC2
InChIInChI=1S/C17H22N2S/c18-16-11-7-3-1-2-4-9-13(11)19-17-15(16)12-8-5-6-10-14(12)20-17/h1-10H2,(H2,18,19)
InChIKeySGIKZJPBBQPXKU-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.42
Rot. Bonds

About 19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine

19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine (PubChem CID 2330392) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine.

Molecular Properties

Compound Name19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine
PubChem CID2330392
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine
SMILESNc1c2c(nc3sc4c(c13)CCCC4)CCCCCC2
InChIInChI=1S/C17H22N2S/c18-16-11-7-3-1-2-4-9-13(11)19-17-15(16)12-8-5-6-10-14(12)20-17/h1-10H2,(H2,18,19)
InChIKeySGIKZJPBBQPXKU-UHFFFAOYSA-N
XLogP4.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine with MolForge

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Related Compounds

1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine
CID 751739
15-tert-butyl-9-thia-11-azatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),10,12(17)-tetraen-18-amine
CID 5297170
4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazine-2-thione
CID 1180504
1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63351534
2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 55038211
10-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 13289819
27-amino-11,17-dithia-13,15,28-triazahexacyclo[13.13.0.02,12.03,10.016,26.018,25]octacosa-1,3(10),12,16(26),18(25),27-hexaene-14-thione
CID 57341529
(5-methyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl)hydrazine
CID 16656117
14-amino-15-ethenyl-19-thia-15,17-diazatricyclo[10.7.0.013,18]nonadeca-1(12),13,17-triene-16-thione
CID 23849207
5-methyl-4-oxa-8-thia-6-azatricyclo[7.6.0.02,7]pentadeca-1(9),2(7),5-trien-3-one
CID 4633853
5,8-difluoro-1,2,3,4-tetrahydroacridin-9-amine
CID 62203099
5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-amine
CID 41477281

Frequently Asked Questions

What is the IUPAC name of 19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine?
The IUPAC name of 19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine (CID 2330392) is 19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine.
What is the SMILES notation for 19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine?
The canonical SMILES for 19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine is Nc1c2c(nc3sc4c(c13)CCCC4)CCCCCC2.
What is the InChIKey of 19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine?
The InChIKey is SGIKZJPBBQPXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c18-16-11-7-3-1-2-4-9-13(11)19-17-15(16)12-8-5-6-10-14(12)20-17/h1-10H2,(H2,18,19).
What are the key properties of 19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine?
19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine has a molecular weight of 286.44 g/mol, XLogP of 4.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine is sourced from PubChem (CID 2330392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).