1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide

C19H27N3O3S — CID 119802333

IUPAC1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CC1CC3CCC(C1)N3)CC2
InChIInChI=1S/C19H27N3O3S/c1-2-20-26(24,25)17-6-3-14-7-8-22(18(14)12-17)19(23)11-13-9-15-4-5-16(10-13)21-15/h3,6,12-13,15-16,20-21H,2,4-5,7-11H2,1H3
InChIKeyVNNLUBIPSOAJHO-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.79
Rot. Bonds5

About 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide

1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 119802333) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide
PubChem CID119802333
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CC1CC3CCC(C1)N3)CC2
InChIInChI=1S/C19H27N3O3S/c1-2-20-26(24,25)17-6-3-14-7-8-22(18(14)12-17)19(23)11-13-9-15-4-5-16(10-13)21-15/h3,6,12-13,15-16,20-21H,2,4-5,7-11H2,1H3
InChIKeyVNNLUBIPSOAJHO-UHFFFAOYSA-N
XLogP1.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide 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

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119699459
2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid
CID 146134632
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride
CID 119821871
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119685868
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide;hydrochloride
CID 119769061
N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119939803
1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119979655
1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide
CID 154754983
1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 124689464
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
CID 119784094
1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride
CID 119966651
1-(3-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119802266

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide (CID 119802333) is 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide is CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CC1CC3CCC(C1)N3)CC2.
What is the InChIKey of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is VNNLUBIPSOAJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-2-20-26(24,25)17-6-3-14-7-8-22(18(14)12-17)19(23)11-13-9-15-4-5-16(10-13)21-15/h3,6,12-13,15-16,20-21H,2,4-5,7-11H2,1H3.
What are the key properties of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide?
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 377.51 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 119802333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).