1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide

C12H17N3O3S — CID 119305331

IUPAC1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H](C)N
InChIInChI=1S/C12H17N3O3S/c1-8(13)12(16)15-6-5-9-7-10(3-4-11(9)15)19(17,18)14-2/h3-4,7-8,14H,5-6,13H2,1-2H3/t8-/m0/s1
InChIKeyXTRJRRYCQGOYOK-QMMMGPOBSA-N
MW283.35 g/mol
LogP-0.17
Rot. Bonds3

About 1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide

1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 119305331) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID119305331
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H](C)N
InChIInChI=1S/C12H17N3O3S/c1-8(13)12(16)15-6-5-9-7-10(3-4-11(9)15)19(17,18)14-2/h3-4,7-8,14H,5-6,13H2,1-2H3/t8-/m0/s1
InChIKeyXTRJRRYCQGOYOK-QMMMGPOBSA-N
XLogP-0.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide
CID 51098284
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
CID 119280335
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119310076
1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119334262
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
CID 93065305
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 119324906
N-methyl-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
CID 60612735
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide (CID 119305331) is 1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H](C)N.
What is the InChIKey of 1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is XTRJRRYCQGOYOK-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8(13)12(16)15-6-5-9-7-10(3-4-11(9)15)19(17,18)14-2/h3-4,7-8,14H,5-6,13H2,1-2H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide?
1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 119305331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).