4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine

C15H21N3O2S2 — CID 53174187

IUPAC4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine
SMILESCC(C)Cn1cc(S(=O)(=O)N2CCSCC2)c2cccnc21
InChIInChI=1S/C15H21N3O2S2/c1-12(2)10-17-11-14(13-4-3-5-16-15(13)17)22(19,20)18-6-8-21-9-7-18/h3-5,11-12H,6-10H2,1-2H3
InChIKeyMLJMYUIXAUHGJJ-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.43
Rot. Bonds4

About 4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine

4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine (PubChem CID 53174187) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine.

Molecular Properties

Compound Name4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine
PubChem CID53174187
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine
SMILESCC(C)Cn1cc(S(=O)(=O)N2CCSCC2)c2cccnc21
InChIInChI=1S/C15H21N3O2S2/c1-12(2)10-17-11-14(13-4-3-5-16-15(13)17)22(19,20)18-6-8-21-9-7-18/h3-5,11-12H,6-10H2,1-2H3
InChIKeyMLJMYUIXAUHGJJ-UHFFFAOYSA-N
XLogP2.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine 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

N-(2-chlorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174190
N-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174159
N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53040471
3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine
CID 53174138
N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174170
N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174152
1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide
CID 53144930
2,4,5-trimethyl-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 53144918
1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine
CID 66410879
3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 133424207
1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide
CID 53144929
N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 53144899

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine?
The IUPAC name of 4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine (CID 53174187) is 4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine.
What is the SMILES notation for 4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine?
The canonical SMILES for 4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine is CC(C)Cn1cc(S(=O)(=O)N2CCSCC2)c2cccnc21.
What is the InChIKey of 4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine?
The InChIKey is MLJMYUIXAUHGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-12(2)10-17-11-14(13-4-3-5-16-15(13)17)22(19,20)18-6-8-21-9-7-18/h3-5,11-12H,6-10H2,1-2H3.
What are the key properties of 4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine?
4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine has a molecular weight of 339.49 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine is sourced from PubChem (CID 53174187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).