N,N-dimethyl-2-(2-methylsulfanyl-1H-indol-3-yl)acetamide

C13H16N2OS — CID 901182

IUPACN,N-dimethyl-2-(2-methylsulfanyl-1H-indol-3-yl)acetamide
SMILESCSc1[nH]c2ccccc2c1CC(=O)N(C)C
InChIInChI=1S/C13H16N2OS/c1-15(2)12(16)8-10-9-6-4-5-7-11(9)14-13(10)17-3/h4-7,14H,8H2,1-3H3
InChIKeyRSOKXCKUYSJZEL-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.52
Rot. Bonds3

About N,N-dimethyl-2-(2-methylsulfanyl-1H-indol-3-yl)acetamide

N,N-dimethyl-2-(2-methylsulfanyl-1H-indol-3-yl)acetamide (PubChem CID 901182) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methylsulfanyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methylsulfanyl-1H-indol-3-yl)acetamide
PubChem CID901182
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN,N-dimethyl-2-(2-methylsulfanyl-1H-indol-3-yl)acetamide
SMILESCSc1[nH]c2ccccc2c1CC(=O)N(C)C
InChIInChI=1S/C13H16N2OS/c1-15(2)12(16)8-10-9-6-4-5-7-11(9)14-13(10)17-3/h4-7,14H,8H2,1-3H3
InChIKeyRSOKXCKUYSJZEL-UHFFFAOYSA-N
XLogP2.52
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-acetyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 14447109
(2S)-2-amino-3-(2-methylsulfanyl-1H-indol-3-yl)propanal
CID 155923710
methyl 2-methylsulfanyl-1H-indole-3-carboxylate
CID 11481434
N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702447
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 55596607
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622
2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 901181
2-(2-fluoro-1H-indol-3-yl)acetic acid
CID 22642493
3-[2-(N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 4688441
2-(2-iodo-1H-indol-3-yl)acetic acid
CID 22642492
N-benzyl-2-(2-phenylsulfanyl-1H-indol-3-yl)acetamide
CID 46328992
2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 61022230

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methylsulfanyl-1H-indol-3-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(2-methylsulfanyl-1H-indol-3-yl)acetamide (CID 901182) is N,N-dimethyl-2-(2-methylsulfanyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(2-methylsulfanyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(2-methylsulfanyl-1H-indol-3-yl)acetamide is CSc1[nH]c2ccccc2c1CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(2-methylsulfanyl-1H-indol-3-yl)acetamide?
The InChIKey is RSOKXCKUYSJZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-15(2)12(16)8-10-9-6-4-5-7-11(9)14-13(10)17-3/h4-7,14H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(2-methylsulfanyl-1H-indol-3-yl)acetamide?
N,N-dimethyl-2-(2-methylsulfanyl-1H-indol-3-yl)acetamide has a molecular weight of 248.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methylsulfanyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 901182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).