9-[2-(diethylamino)ethyl]-4-methylthiopyrano[2,3-b]indol-2-one

C18H22N2OS — CID 901126

IUPAC9-[2-(diethylamino)ethyl]-4-methylthiopyrano[2,3-b]indol-2-one
SMILESCCN(CC)CCn1c2ccccc2c2c(C)cc(=O)sc21
InChIInChI=1S/C18H22N2OS/c1-4-19(5-2)10-11-20-15-9-7-6-8-14(15)17-13(3)12-16(21)22-18(17)20/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyMRCRKJSNZIQYGS-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.87
Rot. Bonds5

About 9-[2-(diethylamino)ethyl]-4-methylthiopyrano[2,3-b]indol-2-one

9-[2-(diethylamino)ethyl]-4-methylthiopyrano[2,3-b]indol-2-one (PubChem CID 901126) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 9-[2-(diethylamino)ethyl]-4-methylthiopyrano[2,3-b]indol-2-one.

Molecular Properties

Compound Name9-[2-(diethylamino)ethyl]-4-methylthiopyrano[2,3-b]indol-2-one
PubChem CID901126
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name9-[2-(diethylamino)ethyl]-4-methylthiopyrano[2,3-b]indol-2-one
SMILESCCN(CC)CCn1c2ccccc2c2c(C)cc(=O)sc21
InChIInChI=1S/C18H22N2OS/c1-4-19(5-2)10-11-20-15-9-7-6-8-14(15)17-13(3)12-16(21)22-18(17)20/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyMRCRKJSNZIQYGS-UHFFFAOYSA-N
XLogP3.87
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[2-(diethylamino)ethyl]-4-methylthiopyrano[2,3-b]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-bis[2-(diethylamino)ethyl]indolo[2,3-c]quinolin-6-one
CID 21445442
3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one
CID 24991794
2-(2,6-dichloroindolo[2,3-c]quinolin-7-yl)-N,N-diethylethanamine
CID 21445432
2-[2,3-bis(ethenyl)indol-1-yl]-N,N-diethylethanamine
CID 143973355
4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one
CID 23332746
3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one
CID 43341001
N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride
CID 54606871
3-[(3,4-dichlorophenyl)methyl]-1-[2-(diethylamino)ethyl]-2-iminoquinazolin-4-one
CID 23791451
10-[2-(dimethylamino)ethyl]acridin-9-one
CID 3014731
2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride
CID 3057183
1-[2-(diethylamino)ethyl]indazol-3-amine
CID 107913543
N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine
CID 2966419

Frequently Asked Questions

What is the IUPAC name of 9-[2-(diethylamino)ethyl]-4-methylthiopyrano[2,3-b]indol-2-one?
The IUPAC name of 9-[2-(diethylamino)ethyl]-4-methylthiopyrano[2,3-b]indol-2-one (CID 901126) is 9-[2-(diethylamino)ethyl]-4-methylthiopyrano[2,3-b]indol-2-one.
What is the SMILES notation for 9-[2-(diethylamino)ethyl]-4-methylthiopyrano[2,3-b]indol-2-one?
The canonical SMILES for 9-[2-(diethylamino)ethyl]-4-methylthiopyrano[2,3-b]indol-2-one is CCN(CC)CCn1c2ccccc2c2c(C)cc(=O)sc21.
What is the InChIKey of 9-[2-(diethylamino)ethyl]-4-methylthiopyrano[2,3-b]indol-2-one?
The InChIKey is MRCRKJSNZIQYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-4-19(5-2)10-11-20-15-9-7-6-8-14(15)17-13(3)12-16(21)22-18(17)20/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 9-[2-(diethylamino)ethyl]-4-methylthiopyrano[2,3-b]indol-2-one?
9-[2-(diethylamino)ethyl]-4-methylthiopyrano[2,3-b]indol-2-one has a molecular weight of 314.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(diethylamino)ethyl]-4-methylthiopyrano[2,3-b]indol-2-one is sourced from PubChem (CID 901126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).