2-(1H-indol-6-yl)-N-methylsulfonylpropanamide

C12H14N2O3S — CID 154853061

IUPAC2-(1H-indol-6-yl)-N-methylsulfonylpropanamide
SMILESCC(C(=O)NS(C)(=O)=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H14N2O3S/c1-8(12(15)14-18(2,16)17)10-4-3-9-5-6-13-11(9)7-10/h3-8,13H,1-2H3,(H,14,15)
InChIKeyCBXTUYAJKKMENN-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.35
Rot. Bonds3

About 2-(1H-indol-6-yl)-N-methylsulfonylpropanamide

2-(1H-indol-6-yl)-N-methylsulfonylpropanamide (PubChem CID 154853061) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(1H-indol-6-yl)-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name2-(1H-indol-6-yl)-N-methylsulfonylpropanamide
PubChem CID154853061
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-(1H-indol-6-yl)-N-methylsulfonylpropanamide
SMILESCC(C(=O)NS(C)(=O)=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H14N2O3S/c1-8(12(15)14-18(2,16)17)10-4-3-9-5-6-13-11(9)7-10/h3-8,13H,1-2H3,(H,14,15)
InChIKeyCBXTUYAJKKMENN-UHFFFAOYSA-N
XLogP1.35
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-6-yl)-N-methylsulfonylpropanamide?
The IUPAC name of 2-(1H-indol-6-yl)-N-methylsulfonylpropanamide (CID 154853061) is 2-(1H-indol-6-yl)-N-methylsulfonylpropanamide.
What is the SMILES notation for 2-(1H-indol-6-yl)-N-methylsulfonylpropanamide?
The canonical SMILES for 2-(1H-indol-6-yl)-N-methylsulfonylpropanamide is CC(C(=O)NS(C)(=O)=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of 2-(1H-indol-6-yl)-N-methylsulfonylpropanamide?
The InChIKey is CBXTUYAJKKMENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-8(12(15)14-18(2,16)17)10-4-3-9-5-6-13-11(9)7-10/h3-8,13H,1-2H3,(H,14,15).
What are the key properties of 2-(1H-indol-6-yl)-N-methylsulfonylpropanamide?
2-(1H-indol-6-yl)-N-methylsulfonylpropanamide has a molecular weight of 266.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-6-yl)-N-methylsulfonylpropanamide is sourced from PubChem (CID 154853061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).