N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine

C16H24N2O2S — CID 102914430

IUPACN-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine
SMILESCCS(=O)(=O)CCn1ccc2cccc(CNC(C)C)c21
InChIInChI=1S/C16H24N2O2S/c1-4-21(19,20)11-10-18-9-8-14-6-5-7-15(16(14)18)12-17-13(2)3/h5-9,13,17H,4,10-12H2,1-3H3
InChIKeyCLJQNVVOTCOGSO-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.57
Rot. Bonds7

About N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine

N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine (PubChem CID 102914430) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine
PubChem CID102914430
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine
SMILESCCS(=O)(=O)CCn1ccc2cccc(CNC(C)C)c21
InChIInChI=1S/C16H24N2O2S/c1-4-21(19,20)11-10-18-9-8-14-6-5-7-15(16(14)18)12-17-13(2)3/h5-9,13,17H,4,10-12H2,1-3H3
InChIKeyCLJQNVVOTCOGSO-UHFFFAOYSA-N
XLogP2.57
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine (CID 102914430) is N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine is CCS(=O)(=O)CCn1ccc2cccc(CNC(C)C)c21.
What is the InChIKey of N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine?
The InChIKey is CLJQNVVOTCOGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-21(19,20)11-10-18-9-8-14-6-5-7-15(16(14)18)12-17-13(2)3/h5-9,13,17H,4,10-12H2,1-3H3.
What are the key properties of N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine?
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine has a molecular weight of 308.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine is sourced from PubChem (CID 102914430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).