N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide

C12H14N2OS — CID 115167052

IUPACN-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide
SMILESCc1[nH]c2ccccc2c1N(C)C(=O)CS
InChIInChI=1S/C12H14N2OS/c1-8-12(14(2)11(15)7-16)9-5-3-4-6-10(9)13-8/h3-6,13,16H,7H2,1-2H3
InChIKeyWCCZAAINXYRCQH-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.37
Rot. Bonds2

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

N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide (PubChem CID 115167052) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide
PubChem CID115167052
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide
SMILESCc1[nH]c2ccccc2c1N(C)C(=O)CS
InChIInChI=1S/C12H14N2OS/c1-8-12(14(2)11(15)7-16)9-5-3-4-6-10(9)13-8/h3-6,13,16H,7H2,1-2H3
InChIKeyWCCZAAINXYRCQH-UHFFFAOYSA-N
XLogP2.37
TPSA36.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate
CID 115141911
2-hydroxy-N,2-dimethyl-N-(2-methyl-1H-indol-3-yl)propanamide
CID 115178660
1-(hydroxymethyl)-N-methyl-N-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 115182147
2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid
CID 115136494
3-[methyl-(2-methyl-1H-indol-3-yl)amino]butanoic acid
CID 117042118
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile
CID 115129151
2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol
CID 115224373
N'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 115201113
N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702447
N-[4-(aminomethyl)phenyl]-N,2-dimethyl-1H-indol-3-amine
CID 117041626
1-[3-(dimethylamino)-1H-indol-2-yl]ethanone
CID 124705743

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide?
The IUPAC name of N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide (CID 115167052) is N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide.
What is the SMILES notation for N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide?
The canonical SMILES for N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide is Cc1[nH]c2ccccc2c1N(C)C(=O)CS.
What is the InChIKey of N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide?
The InChIKey is WCCZAAINXYRCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-12(14(2)11(15)7-16)9-5-3-4-6-10(9)13-8/h3-6,13,16H,7H2,1-2H3.
What are the key properties of N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide?
N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide has a molecular weight of 234.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide is sourced from PubChem (CID 115167052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).