1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine

C12H18N2O2S — CID 82341039

IUPAC1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine
SMILESCC(N)Cc1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C12H18N2O2S/c1-9(13)7-10-3-4-12-11(8-10)5-6-14(12)17(2,15)16/h3-4,8-9H,5-7,13H2,1-2H3
InChIKeyTZEYQCCDWGOHQE-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.90
Rot. Bonds3

About 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine

1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine (PubChem CID 82341039) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine
PubChem CID82341039
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC Name1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine
SMILESCC(N)Cc1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C12H18N2O2S/c1-9(13)7-10-3-4-12-11(8-10)5-6-14(12)17(2,15)16/h3-4,8-9H,5-7,13H2,1-2H3
InChIKeyTZEYQCCDWGOHQE-UHFFFAOYSA-N
XLogP0.90
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-aminopropyl)-2,3-dihydroindole-1-carbonitrile
CID 141299224
6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 166559541
6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82190766
3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
CID 82341251
(2R)-1-(1-benzyl-2,3-dihydroindol-5-yl)propan-2-amine
CID 125041450
5-methoxy-1-methylsulfonyl-2,3-dihydroindole
CID 110714108
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 119518081
N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide
CID 51323616
tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117469487
[(2S)-1-amino-1-oxopropan-2-yl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 8783625
1-methylsulfonyl-5-nitro-2,3-dihydroindole
CID 2918213
N-[2-(4-aminophenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 119548178

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine?
The IUPAC name of 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine (CID 82341039) is 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine?
The canonical SMILES for 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine is CC(N)Cc1ccc2c(c1)CCN2S(C)(=O)=O.
What is the InChIKey of 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine?
The InChIKey is TZEYQCCDWGOHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(13)7-10-3-4-12-11(8-10)5-6-14(12)17(2,15)16/h3-4,8-9H,5-7,13H2,1-2H3.
What are the key properties of 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine?
1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine has a molecular weight of 254.36 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine is sourced from PubChem (CID 82341039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).