5-[2-amino-2-[methyl(sulfinato)amino]ethyl]-2,3-dihydro-1H-indole

C11H16N3O2S- — CID 54519393

IUPAC5-[2-amino-2-[methyl(sulfinato)amino]ethyl]-2,3-dihydro-1H-indole
SMILESCN(C(N)Cc1ccc2c(c1)CCN2)S(=O)[O-]
InChIInChI=1S/C11H17N3O2S/c1-14(17(15)16)11(12)7-8-2-3-10-9(6-8)4-5-13-10/h2-3,6,11,13H,4-5,7,12H2,1H3,(H,15,16)/p-1
InChIKeyXIRZUXGLDKSMAO-UHFFFAOYSA-M
MW254.33 g/mol
LogP0.21
Rot. Bonds4

About 5-[2-amino-2-[methyl(sulfinato)amino]ethyl]-2,3-dihydro-1H-indole

5-[2-amino-2-[methyl(sulfinato)amino]ethyl]-2,3-dihydro-1H-indole (PubChem CID 54519393) has the molecular formula C11H16N3O2S- and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-[2-amino-2-[methyl(sulfinato)amino]ethyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-[2-amino-2-[methyl(sulfinato)amino]ethyl]-2,3-dihydro-1H-indole
PubChem CID54519393
Molecular FormulaC11H16N3O2S-
Molecular Weight254.33 g/mol
Exact Mass254.10
IUPAC Name5-[2-amino-2-[methyl(sulfinato)amino]ethyl]-2,3-dihydro-1H-indole
SMILESCN(C(N)Cc1ccc2c(c1)CCN2)S(=O)[O-]
InChIInChI=1S/C11H17N3O2S/c1-14(17(15)16)11(12)7-8-2-3-10-9(6-8)4-5-13-10/h2-3,6,11,13H,4-5,7,12H2,1H3,(H,15,16)/p-1
InChIKeyXIRZUXGLDKSMAO-UHFFFAOYSA-M
XLogP0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 5-[2-amino-2-[methyl(sulfinato)amino]ethyl]-2,3-dihydro-1H-indole 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

1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxamide
CID 82257077
1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid
CID 82255857
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-ethylethanamine
CID 22898575
1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol
CID 105457907
1-(2,3-dihydro-1H-indol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine
CID 43527635
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-2-amine
CID 112661085
2-(2,3-dihydro-1H-indol-5-yl)-N,N-diethylethanamine
CID 82255784
N-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
CID 82257057
N-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine
CID 82255932
methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate
CID 10888757
N-methyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43119880
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine
CID 16767807

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-2-[methyl(sulfinato)amino]ethyl]-2,3-dihydro-1H-indole?
The IUPAC name of 5-[2-amino-2-[methyl(sulfinato)amino]ethyl]-2,3-dihydro-1H-indole (CID 54519393) is 5-[2-amino-2-[methyl(sulfinato)amino]ethyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-[2-amino-2-[methyl(sulfinato)amino]ethyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 5-[2-amino-2-[methyl(sulfinato)amino]ethyl]-2,3-dihydro-1H-indole is CN(C(N)Cc1ccc2c(c1)CCN2)S(=O)[O-].
What is the InChIKey of 5-[2-amino-2-[methyl(sulfinato)amino]ethyl]-2,3-dihydro-1H-indole?
The InChIKey is XIRZUXGLDKSMAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H17N3O2S/c1-14(17(15)16)11(12)7-8-2-3-10-9(6-8)4-5-13-10/h2-3,6,11,13H,4-5,7,12H2,1H3,(H,15,16)/p-1.
What are the key properties of 5-[2-amino-2-[methyl(sulfinato)amino]ethyl]-2,3-dihydro-1H-indole?
5-[2-amino-2-[methyl(sulfinato)amino]ethyl]-2,3-dihydro-1H-indole has a molecular weight of 254.33 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-2-[methyl(sulfinato)amino]ethyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 54519393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).