11-[2-(dimethylamino)ethyl]-6H-thiochromeno[4,3-b]indol-8-ol

C19H20N2OS — CID 11638405

IUPAC11-[2-(dimethylamino)ethyl]-6H-thiochromeno[4,3-b]indol-8-ol
SMILESCN(C)CCn1c2c(c3cc(O)ccc31)CSc1ccccc1-2
InChIInChI=1S/C19H20N2OS/c1-20(2)9-10-21-17-8-7-13(22)11-15(17)16-12-23-18-6-4-3-5-14(18)19(16)21/h3-8,11,22H,9-10,12H2,1-2H3
InChIKeyBHTFXQLLSZJHDX-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.18
Rot. Bonds3

About 11-[2-(dimethylamino)ethyl]-6H-thiochromeno[4,3-b]indol-8-ol

11-[2-(dimethylamino)ethyl]-6H-thiochromeno[4,3-b]indol-8-ol (PubChem CID 11638405) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 11-[2-(dimethylamino)ethyl]-6H-thiochromeno[4,3-b]indol-8-ol.

Molecular Properties

Compound Name11-[2-(dimethylamino)ethyl]-6H-thiochromeno[4,3-b]indol-8-ol
PubChem CID11638405
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name11-[2-(dimethylamino)ethyl]-6H-thiochromeno[4,3-b]indol-8-ol
SMILESCN(C)CCn1c2c(c3cc(O)ccc31)CSc1ccccc1-2
InChIInChI=1S/C19H20N2OS/c1-20(2)9-10-21-17-8-7-13(22)11-15(17)16-12-23-18-6-4-3-5-14(18)19(16)21/h3-8,11,22H,9-10,12H2,1-2H3
InChIKeyBHTFXQLLSZJHDX-UHFFFAOYSA-N
XLogP4.18
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[8-[tert-butyl(dimethyl)silyl]oxy-6H-thiochromeno[4,3-b]indol-11-yl]methyl]phenoxy]-N,N-diethylethanamine;11-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6H-thiochromeno[4,3-b]indol-8-ol;methane
CID 159877679
N-[2-(dimethylamino)ethyl]-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517050
[11-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6H-thiochromeno[4,3-b]indol-8-yl] 2,2-dimethylpropanoate
CID 59676047
12-(3-chloropropyl)-6,7-dihydro-[1]benzothiepino[5,4-b]indole
CID 86076241
N,N-diethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517068
4-oxo-4-(6H-thiochromeno[4,3-b]indol-11-yl)butanoic acid
CID 155782183
6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione
CID 54586247
N-butyl-5-(6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methylpentan-1-amine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 131738171
9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
CID 90835395
tetrasodium;4-(6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-1,1-diphosphonatobutan-1-ol
CID 44579722
10-[2-(dimethylamino)ethyl]acridin-9-one
CID 3014731
9-butylcarbazol-3-ol
CID 140908966

Frequently Asked Questions

What is the IUPAC name of 11-[2-(dimethylamino)ethyl]-6H-thiochromeno[4,3-b]indol-8-ol?
The IUPAC name of 11-[2-(dimethylamino)ethyl]-6H-thiochromeno[4,3-b]indol-8-ol (CID 11638405) is 11-[2-(dimethylamino)ethyl]-6H-thiochromeno[4,3-b]indol-8-ol.
What is the SMILES notation for 11-[2-(dimethylamino)ethyl]-6H-thiochromeno[4,3-b]indol-8-ol?
The canonical SMILES for 11-[2-(dimethylamino)ethyl]-6H-thiochromeno[4,3-b]indol-8-ol is CN(C)CCn1c2c(c3cc(O)ccc31)CSc1ccccc1-2.
What is the InChIKey of 11-[2-(dimethylamino)ethyl]-6H-thiochromeno[4,3-b]indol-8-ol?
The InChIKey is BHTFXQLLSZJHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-20(2)9-10-21-17-8-7-13(22)11-15(17)16-12-23-18-6-4-3-5-14(18)19(16)21/h3-8,11,22H,9-10,12H2,1-2H3.
What are the key properties of 11-[2-(dimethylamino)ethyl]-6H-thiochromeno[4,3-b]indol-8-ol?
11-[2-(dimethylamino)ethyl]-6H-thiochromeno[4,3-b]indol-8-ol has a molecular weight of 324.45 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(dimethylamino)ethyl]-6H-thiochromeno[4,3-b]indol-8-ol is sourced from PubChem (CID 11638405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).