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

C15H21N3O3S — CID 124689464

IUPAC1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CC[C@H](N)C1)CC2
InChIInChI=1S/C15H21N3O3S/c1-17-22(20,21)13-5-3-10-6-7-18(14(10)9-13)15(19)11-2-4-12(16)8-11/h3,5,9,11-12,17H,2,4,6-8,16H2,1H3/t11-,12-/m0/s1
InChIKeyWJRXCIIGMGZTAZ-RYUDHWBXSA-N
MW323.42 g/mol
LogP0.61
Rot. Bonds3

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

1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 124689464) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
PubChem CID124689464
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CC[C@H](N)C1)CC2
InChIInChI=1S/C15H21N3O3S/c1-17-22(20,21)13-5-3-10-6-7-18(14(10)9-13)15(19)11-2-4-12(16)8-11/h3,5,9,11-12,17H,2,4,6-8,16H2,1H3/t11-,12-/m0/s1
InChIKeyWJRXCIIGMGZTAZ-RYUDHWBXSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119802266
4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673855
N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120635833
[(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone
CID 124699729
1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 167752448
1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 119334261
1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride
CID 54594046
(3-aminocyclohexyl)-(6-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119760507
(3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
CID 119765893
1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
CID 75422244
(4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone
CID 22591393
1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119334262

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide (CID 124689464) is 1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CC[C@H](N)C1)CC2.
What is the InChIKey of 1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is WJRXCIIGMGZTAZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-17-22(20,21)13-5-3-10-6-7-18(14(10)9-13)15(19)11-2-4-12(16)8-11/h3,5,9,11-12,17H,2,4,6-8,16H2,1H3/t11-,12-/m0/s1.
What are the key properties of 1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide?
1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 124689464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).