N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine

C15H22N2O2S — CID 106731932

IUPACN-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine
SMILESCCCS(=O)(=O)CCn1c(CNC)cc2ccccc21
InChIInChI=1S/C15H22N2O2S/c1-3-9-20(18,19)10-8-17-14(12-16-2)11-13-6-4-5-7-15(13)17/h4-7,11,16H,3,8-10,12H2,1-2H3
InChIKeyBWGZHMNEJSCREF-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.19
Rot. Bonds7

About N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine

N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine (PubChem CID 106731932) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine
PubChem CID106731932
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine
SMILESCCCS(=O)(=O)CCn1c(CNC)cc2ccccc21
InChIInChI=1S/C15H22N2O2S/c1-3-9-20(18,19)10-8-17-14(12-16-2)11-13-6-4-5-7-15(13)17/h4-7,11,16H,3,8-10,12H2,1-2H3
InChIKeyBWGZHMNEJSCREF-UHFFFAOYSA-N
XLogP2.19
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine
CID 106731933
N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine
CID 113474415
1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine
CID 82924833
1-(1-fluoroindol-2-yl)-N-methylmethanamine
CID 68501353
N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine
CID 106731962
1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine
CID 65490558
2-(ethylsulfonylmethyl)-1-methylindole
CID 117173182
1-(2-propylsulfonylethyl)indole-4-carbonitrile
CID 107919189
2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine
CID 106458265
1-[1-[(4-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine
CID 107887996
1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine
CID 115984349
1-nonyl-2-propylindole
CID 19869956

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine (CID 106731932) is N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine is CCCS(=O)(=O)CCn1c(CNC)cc2ccccc21.
What is the InChIKey of N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine?
The InChIKey is BWGZHMNEJSCREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-9-20(18,19)10-8-17-14(12-16-2)11-13-6-4-5-7-15(13)17/h4-7,11,16H,3,8-10,12H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine?
N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine has a molecular weight of 294.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine is sourced from PubChem (CID 106731932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).