1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine

C12H16N2O2S — CID 83919825

IUPAC1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine
SMILESCC(N)Cc1cc2ccc(S(C)(=O)=O)cc2[nH]1
InChIInChI=1S/C12H16N2O2S/c1-8(13)5-10-6-9-3-4-11(17(2,15)16)7-12(9)14-10/h3-4,6-8,14H,5,13H2,1-2H3
InChIKeyDEVGIOSXLQDIJE-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.46
Rot. Bonds3

About 1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine

1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine (PubChem CID 83919825) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine
PubChem CID83919825
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine
SMILESCC(N)Cc1cc2ccc(S(C)(=O)=O)cc2[nH]1
InChIInChI=1S/C12H16N2O2S/c1-8(13)5-10-6-9-3-4-11(17(2,15)16)7-12(9)14-10/h3-4,6-8,14H,5,13H2,1-2H3
InChIKeyDEVGIOSXLQDIJE-UHFFFAOYSA-N
XLogP1.46
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine?
The IUPAC name of 1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine (CID 83919825) is 1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine?
The canonical SMILES for 1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine is CC(N)Cc1cc2ccc(S(C)(=O)=O)cc2[nH]1.
What is the InChIKey of 1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine?
The InChIKey is DEVGIOSXLQDIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8(13)5-10-6-9-3-4-11(17(2,15)16)7-12(9)14-10/h3-4,6-8,14H,5,13H2,1-2H3.
What are the key properties of 1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine?
1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine has a molecular weight of 252.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylsulfonyl-1H-indol-2-yl)propan-2-amine is sourced from PubChem (CID 83919825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).