3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide

C15H20N2OS — CID 112698086

IUPAC3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide
SMILESCSCCN(C)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2OS/c1-17(9-10-19-2)15(18)8-7-12-11-16-14-6-4-3-5-13(12)14/h3-6,11,16H,7-10H2,1-2H3
InChIKeyXHXWFZHRRHYECA-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.92
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide

3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide (PubChem CID 112698086) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide
PubChem CID112698086
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide
SMILESCSCCN(C)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2OS/c1-17(9-10-19-2)15(18)8-7-12-11-16-14-6-4-3-5-13(12)14/h3-6,11,16H,7-10H2,1-2H3
InChIKeyXHXWFZHRRHYECA-UHFFFAOYSA-N
XLogP2.92
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678
N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 134127501
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide
CID 115174014
N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 123961243
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538
N-[2-(4-bromophenoxy)ethyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 27811332
3-(1H-indol-3-yl)-N-methyl-N-(4-methylpentan-2-yl)propanamide
CID 42951930
N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 30707132
N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 26622391
N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide
CID 79270948
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-phenoxyacetamide
CID 110733086

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide (CID 112698086) is 3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide is CSCCN(C)C(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide?
The InChIKey is XHXWFZHRRHYECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-17(9-10-19-2)15(18)8-7-12-11-16-14-6-4-3-5-13(12)14/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of 3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide?
3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide has a molecular weight of 276.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide is sourced from PubChem (CID 112698086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).