N-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine

C16H24N2O2S — CID 106731933

IUPACN-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine
SMILESCCNCc1cc2ccccc2n1CCS(=O)(=O)C(C)C
InChIInChI=1S/C16H24N2O2S/c1-4-17-12-15-11-14-7-5-6-8-16(14)18(15)9-10-21(19,20)13(2)3/h5-8,11,13,17H,4,9-10,12H2,1-3H3
InChIKeyNHYGBCUGIKXYTH-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.57
Rot. Bonds7

About N-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine

N-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine (PubChem CID 106731933) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine
PubChem CID106731933
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine
SMILESCCNCc1cc2ccccc2n1CCS(=O)(=O)C(C)C
InChIInChI=1S/C16H24N2O2S/c1-4-17-12-15-11-14-7-5-6-8-16(14)18(15)9-10-21(19,20)13(2)3/h5-8,11,13,17H,4,9-10,12H2,1-3H3
InChIKeyNHYGBCUGIKXYTH-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

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Related Compounds

N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine
CID 106731932
N-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine
CID 65178002
1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid
CID 117184391
N-[(1,7-dimethylindol-2-yl)methyl]ethanamine
CID 117186537
7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117183581
N-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine
CID 104649908
2-(2-methylpropyl)indole-1-carbaldehyde
CID 53309306
N-[(1-methylindol-2-yl)methyl]propan-1-amine
CID 22593758
1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine
CID 82924833
N-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide
CID 6498719
2-(ethylsulfonylmethyl)-1-methylindole
CID 117173182
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine
CID 102914060

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine (CID 106731933) is N-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine is CCNCc1cc2ccccc2n1CCS(=O)(=O)C(C)C.
What is the InChIKey of N-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine?
The InChIKey is NHYGBCUGIKXYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-17-12-15-11-14-7-5-6-8-16(14)18(15)9-10-21(19,20)13(2)3/h5-8,11,13,17H,4,9-10,12H2,1-3H3.
What are the key properties of N-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine?
N-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine 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-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine is sourced from PubChem (CID 106731933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).