1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide

C15H21N3O3S — CID 119334261

IUPAC1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1(N)CCCC1)CC2
InChIInChI=1S/C15H21N3O3S/c1-17-22(20,21)12-5-4-11-6-9-18(13(11)10-12)14(19)15(16)7-2-3-8-15/h4-5,10,17H,2-3,6-9,16H2,1H3
InChIKeyOBSPSOZTKKTMMK-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.76
Rot. Bonds3

About 1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide

1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 119334261) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
PubChem CID119334261
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1(N)CCCC1)CC2
InChIInChI=1S/C15H21N3O3S/c1-17-22(20,21)12-5-4-11-6-9-18(13(11)10-12)14(19)15(16)7-2-3-8-15/h4-5,10,17H,2-3,6-9,16H2,1H3
InChIKeyOBSPSOZTKKTMMK-UHFFFAOYSA-N
XLogP0.76
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-aminocyclopentanecarbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119324921
(1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119324743
4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673855
1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 124689464
1-(3-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119802266
1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 167752448
N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120635833
1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119334262
N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119939803
1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61159437
1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119964737
1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 119305331

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide (CID 119334261) is 1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1(N)CCCC1)CC2.
What is the InChIKey of 1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is OBSPSOZTKKTMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-17-22(20,21)12-5-4-11-6-9-18(13(11)10-12)14(19)15(16)7-2-3-8-15/h4-5,10,17H,2-3,6-9,16H2,1H3.
What are the key properties of 1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide?
1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 119334261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).