2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide

C13H17NOS — CID 60652446

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C13H17NOS/c1-14(2)13(15)9-16-12-7-6-10-4-3-5-11(10)8-12/h6-8H,3-5,9H2,1-2H3
InChIKeyYUPYTTBZWXRFQT-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.36
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide (PubChem CID 60652446) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide
PubChem CID60652446
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C13H17NOS/c1-14(2)13(15)9-16-12-7-6-10-4-3-5-11(10)8-12/h6-8H,3-5,9H2,1-2H3
InChIKeyYUPYTTBZWXRFQT-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide 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

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methoxy-N-methylacetamide
CID 60656256
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 60681982
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 115771303
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone
CID 60652389
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
CID 46412703
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 55594217
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylacetamide
CID 55402339
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone
CID 43232259
N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 60652410
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933570
5-(2,3-dihydro-1H-inden-5-ylsulfanyl)pentan-2-one
CID 43425970

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide (CID 60652446) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide is CN(C)C(=O)CSc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide?
The InChIKey is YUPYTTBZWXRFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-14(2)13(15)9-16-12-7-6-10-4-3-5-11(10)8-12/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide has a molecular weight of 235.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide is sourced from PubChem (CID 60652446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).