2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide

C15H20N2OS — CID 112692080

IUPAC2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
SMILESCSCC(C)N(C)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2OS/c1-11(10-19-3)17(2)15(18)8-12-9-16-14-7-5-4-6-13(12)14/h4-7,9,11,16H,8,10H2,1-3H3
InChIKeyBKQJGZFHTSRGNK-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.92
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide

2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide (PubChem CID 112692080) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
PubChem CID112692080
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
SMILESCSCC(C)N(C)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2OS/c1-11(10-19-3)17(2)15(18)8-12-9-16-14-7-5-4-6-13(12)14/h4-7,9,11,16H,8,10H2,1-3H3
InChIKeyBKQJGZFHTSRGNK-UHFFFAOYSA-N
XLogP2.92
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 46591974
3-(1H-indol-3-yl)-N-methyl-N-(4-methylpentan-2-yl)propanamide
CID 42951930
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 24707532
2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide
CID 43583126
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
N-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide
CID 47268305
(2S)-3-(1H-indol-3-yl)-2-methylsulfanylpropanoic acid
CID 167000700
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide
CID 112698086
2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82960282
2-(1H-indol-3-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 17465883
2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 143794395

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide (CID 112692080) is 2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide is CSCC(C)N(C)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide?
The InChIKey is BKQJGZFHTSRGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11(10-19-3)17(2)15(18)8-12-9-16-14-7-5-4-6-13(12)14/h4-7,9,11,16H,8,10H2,1-3H3.
What are the key properties of 2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide?
2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide has a molecular weight of 276.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide is sourced from PubChem (CID 112692080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).