1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine

C15H18N2S — CID 751739

IUPAC1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine
SMILESNc1c2c(nc3sc4c(c13)CCCC4)CCCC2
InChIInChI=1S/C15H18N2S/c16-14-9-5-1-3-7-11(9)17-15-13(14)10-6-2-4-8-12(10)18-15/h1-8H2,(H2,16,17)
InChIKeyRJEYLKMGHWEFMQ-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.64
Rot. Bonds

About 1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine

1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine (PubChem CID 751739) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine.

Molecular Properties

Compound Name1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine
PubChem CID751739
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine
SMILESNc1c2c(nc3sc4c(c13)CCCC4)CCCC2
InChIInChI=1S/C15H18N2S/c16-14-9-5-1-3-7-11(9)17-15-13(14)10-6-2-4-8-12(10)18-15/h1-8H2,(H2,16,17)
InChIKeyRJEYLKMGHWEFMQ-UHFFFAOYSA-N
XLogP3.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine with MolForge

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Related Compounds

19-thia-2-azatetracyclo[10.7.0.03,10.013,18]nonadeca-1,3(10),11,13(18)-tetraen-11-amine
CID 2330392
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
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
1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63351534
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
potassium 4-sulfanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-thiolate
CID 46934377
5-methyl-4-oxa-8-thia-6-azatricyclo[7.6.0.02,7]pentadeca-1(9),2(7),5-trien-3-one
CID 4633853
2-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-diamine
CID 15644255

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine?
The IUPAC name of 1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine (CID 751739) is 1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine.
What is the SMILES notation for 1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine?
The canonical SMILES for 1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine is Nc1c2c(nc3sc4c(c13)CCCC4)CCCC2.
What is the InChIKey of 1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine?
The InChIKey is RJEYLKMGHWEFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c16-14-9-5-1-3-7-11(9)17-15-13(14)10-6-2-4-8-12(10)18-15/h1-8H2,(H2,16,17).
What are the key properties of 1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine?
1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine has a molecular weight of 258.39 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine is sourced from PubChem (CID 751739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).