1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide

C13H19N3O3S — CID 119324906

IUPAC1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
SMILESC[C@H](N)C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21
InChIInChI=1S/C13H19N3O3S/c1-9(14)13(17)16-7-6-10-4-5-11(8-12(10)16)20(18,19)15(2)3/h4-5,8-9H,6-7,14H2,1-3H3/t9-/m0/s1
InChIKeyJUPNTFVIWCAQQE-VIFPVBQESA-N
MW297.38 g/mol
LogP0.17
Rot. Bonds3

About 1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide

1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 119324906) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
PubChem CID119324906
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
SMILESC[C@H](N)C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21
InChIInChI=1S/C13H19N3O3S/c1-9(14)13(17)16-7-6-10-4-5-11(8-12(10)16)20(18,19)15(2)3/h4-5,8-9H,6-7,14H2,1-3H3/t9-/m0/s1
InChIKeyJUPNTFVIWCAQQE-VIFPVBQESA-N
XLogP0.17
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[2-(2-propan-2-ylphenoxy)butanoyl]-2,3-dihydroindole-6-sulfonamide
CID 86957000
1-(1-aminocyclopentanecarbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119324921
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385
1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119785912
1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 119305331
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120932755
1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 86958748
1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 154797051
N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 18097880
2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride
CID 119922066

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide (CID 119324906) is 1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide is C[C@H](N)C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21.
What is the InChIKey of 1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is JUPNTFVIWCAQQE-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9(14)13(17)16-7-6-10-4-5-11(8-12(10)16)20(18,19)15(2)3/h4-5,8-9H,6-7,14H2,1-3H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide?
1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 119324906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).