2-(3-methylsulfanylindol-1-yl)acetamide

C11H12N2OS — CID 165122763

IUPAC2-(3-methylsulfanylindol-1-yl)acetamide
SMILESCSc1cn(CC(N)=O)c2ccccc12
InChIInChI=1S/C11H12N2OS/c1-15-10-6-13(7-11(12)14)9-5-3-2-4-8(9)10/h2-6H,7H2,1H3,(H2,12,14)
InChIKeyCIQOBBDHUPHDJO-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.85
Rot. Bonds3

About 2-(3-methylsulfanylindol-1-yl)acetamide

2-(3-methylsulfanylindol-1-yl)acetamide (PubChem CID 165122763) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(3-methylsulfanylindol-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylsulfanylindol-1-yl)acetamide
PubChem CID165122763
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-(3-methylsulfanylindol-1-yl)acetamide
SMILESCSc1cn(CC(N)=O)c2ccccc12
InChIInChI=1S/C11H12N2OS/c1-15-10-6-13(7-11(12)14)9-5-3-2-4-8(9)10/h2-6H,7H2,1H3,(H2,12,14)
InChIKeyCIQOBBDHUPHDJO-UHFFFAOYSA-N
XLogP1.85
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
CID 2174755
ethyl 2-(3-benzylsulfanylindol-1-yl)acetate
CID 43949304
4-methyl-1-(3-phenylsulfanylindol-1-yl)pentan-2-one
CID 19887645
2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide
CID 126389678
ethyl 2-(1-ethylindol-3-yl)sulfanylacetate
CID 43949356
methyl 2-[3-(2-aminopropyl)indol-1-yl]acetate
CID 170891361
1-cyclopropyl-3-methylsulfanylindole
CID 174184058
2-[4-(hydroxymethyl)indol-1-yl]acetamide
CID 28947081
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 3879829
2-[[5-[1-(2-amino-2-oxoethyl)indol-3-yl]-4H-pyrazol-3-yl]sulfanyl]acetic acid
CID 153263017
2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide
CID 126389439

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylindol-1-yl)acetamide?
The IUPAC name of 2-(3-methylsulfanylindol-1-yl)acetamide (CID 165122763) is 2-(3-methylsulfanylindol-1-yl)acetamide.
What is the SMILES notation for 2-(3-methylsulfanylindol-1-yl)acetamide?
The canonical SMILES for 2-(3-methylsulfanylindol-1-yl)acetamide is CSc1cn(CC(N)=O)c2ccccc12.
What is the InChIKey of 2-(3-methylsulfanylindol-1-yl)acetamide?
The InChIKey is CIQOBBDHUPHDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-15-10-6-13(7-11(12)14)9-5-3-2-4-8(9)10/h2-6H,7H2,1H3,(H2,12,14).
What are the key properties of 2-(3-methylsulfanylindol-1-yl)acetamide?
2-(3-methylsulfanylindol-1-yl)acetamide has a molecular weight of 220.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylindol-1-yl)acetamide is sourced from PubChem (CID 165122763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).