5-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-6-amine

C11H16N2O4S2 — CID 83212278

IUPAC5-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(S(=O)(=O)CS(C)(=O)=O)CC2
InChIInChI=1S/C11H16N2O4S2/c1-8-5-9-3-4-13(11(9)6-10(8)12)19(16,17)7-18(2,14)15/h5-6H,3-4,7,12H2,1-2H3
InChIKeyLXNWRTBKBXIETB-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.27
Rot. Bonds3

About 5-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-6-amine

5-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-6-amine (PubChem CID 83212278) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name5-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-6-amine
PubChem CID83212278
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name5-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(S(=O)(=O)CS(C)(=O)=O)CC2
InChIInChI=1S/C11H16N2O4S2/c1-8-5-9-3-4-13(11(9)6-10(8)12)19(16,17)7-18(2,14)15/h5-6H,3-4,7,12H2,1-2H3
InChIKeyLXNWRTBKBXIETB-UHFFFAOYSA-N
XLogP0.27
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine
CID 83209711
2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)acetamide
CID 83213541
1-(2-tert-butylsulfonylethyl)-5-methyl-2,3-dihydroindol-6-amine
CID 106726004
1-heptyl-5-methyl-2,3-dihydroindol-6-amine
CID 83213037
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone
CID 83213519
3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide
CID 83212549
1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83212288
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
CID 83212528
2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-carbamoylacetamide
CID 83213540
1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83212879
4-(6-amino-5-methyl-2,3-dihydroindol-1-yl)butanenitrile
CID 83212878
tert-butyl 6-amino-5-methyl-2,3-dihydroindole-1-carboxylate
CID 83212361

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-6-amine?
The IUPAC name of 5-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-6-amine (CID 83212278) is 5-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-6-amine.
What is the SMILES notation for 5-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-6-amine?
The canonical SMILES for 5-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-6-amine is Cc1cc2c(cc1N)N(S(=O)(=O)CS(C)(=O)=O)CC2.
What is the InChIKey of 5-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-6-amine?
The InChIKey is LXNWRTBKBXIETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-8-5-9-3-4-13(11(9)6-10(8)12)19(16,17)7-18(2,14)15/h5-6H,3-4,7,12H2,1-2H3.
What are the key properties of 5-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-6-amine?
5-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-6-amine has a molecular weight of 304.39 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-6-amine is sourced from PubChem (CID 83212278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).