1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-N-methylpropan-2-amine

C15H22N2O2S — CID 83985006

IUPAC1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1c(C)n(C)c2ccc(S(C)(=O)=O)cc12
InChIInChI=1S/C15H22N2O2S/c1-10(16-3)8-13-11(2)17(4)15-7-6-12(9-14(13)15)20(5,18)19/h6-7,9-10,16H,8H2,1-5H3
InChIKeyFWGXFYWUGVDRJJ-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.04
Rot. Bonds4

About 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-N-methylpropan-2-amine

1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-N-methylpropan-2-amine (PubChem CID 83985006) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-N-methylpropan-2-amine
PubChem CID83985006
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1c(C)n(C)c2ccc(S(C)(=O)=O)cc12
InChIInChI=1S/C15H22N2O2S/c1-10(16-3)8-13-11(2)17(4)15-7-6-12(9-14(13)15)20(5,18)19/h6-7,9-10,16H,8H2,1-5H3
InChIKeyFWGXFYWUGVDRJJ-UHFFFAOYSA-N
XLogP2.04
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)propan-2-amine
CID 83984997
2-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-1,1,1-trifluoropropan-2-ol
CID 83985002
2-(methylamino)-3-(1-methyl-5-methylsulfonylindol-3-yl)propanoic acid
CID 83985062
5-(benzenesulfonyl)-3-(3,3-dimethylbutyl)-1,2-dimethylindole
CID 173217873
2-[5-(3-(19F)fluoro-5-fluorophenyl)sulfonyl-1,2-dimethylindol-3-yl]ethanamine
CID 10133373
5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole
CID 138981272
2-(1,2-dimethyl-5-naphthalen-1-ylsulfonylindol-3-yl)ethanamine
CID 10199679
N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine
CID 83985061
tert-butyl N-[2-[5-(benzenesulfonyl)-1,2-dimethylindol-3-yl]ethyl]carbamate
CID 10274190
N-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine
CID 64626576
N-[1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 81456037
2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine
CID 82502211

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-N-methylpropan-2-amine (CID 83985006) is 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-N-methylpropan-2-amine is CNC(C)Cc1c(C)n(C)c2ccc(S(C)(=O)=O)cc12.
What is the InChIKey of 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-N-methylpropan-2-amine?
The InChIKey is FWGXFYWUGVDRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10(16-3)8-13-11(2)17(4)15-7-6-12(9-14(13)15)20(5,18)19/h6-7,9-10,16H,8H2,1-5H3.
What are the key properties of 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-N-methylpropan-2-amine?
1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-N-methylpropan-2-amine has a molecular weight of 294.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethyl-5-methylsulfonylindol-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 83985006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).