1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride

C14H22ClN3O3S — CID 119334262

IUPAC1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCCCC(N)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-3-4-12(15)14(18)17-8-7-10-5-6-11(9-13(10)17)21(19,20)16-2;/h5-6,9,12,16H,3-4,7-8,15H2,1-2H3;1H
InChIKeyMJAVQGNDPVLSSC-UHFFFAOYSA-N
MW347.87 g/mol
LogP1.03
Rot. Bonds5

About 1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride

1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride (PubChem CID 119334262) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is 1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
PubChem CID119334262
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC Name1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCCCC(N)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-3-4-12(15)14(18)17-8-7-10-5-6-11(9-13(10)17)21(19,20)16-2;/h5-6,9,12,16H,3-4,7-8,15H2,1-2H3;1H
InChIKeyMJAVQGNDPVLSSC-UHFFFAOYSA-N
XLogP1.03
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 119305331
2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one
CID 119280348
1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 119334261
2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride
CID 119313316
1-(3-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119802266
1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119993308
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
2-amino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119270363
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
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
CID 103796148

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The IUPAC name of 1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride (CID 119334262) is 1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride.
What is the SMILES notation for 1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The canonical SMILES for 1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride is CCCC(N)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21.Cl.
What is the InChIKey of 1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The InChIKey is MJAVQGNDPVLSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-3-4-12(15)14(18)17-8-7-10-5-6-11(9-13(10)17)21(19,20)16-2;/h5-6,9,12,16H,3-4,7-8,15H2,1-2H3;1H.
What are the key properties of 1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride?
1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride is sourced from PubChem (CID 119334262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).