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

C14H19NO2S — CID 60681982

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO2S/c1-15(7-8-16)14(17)10-18-13-6-5-11-3-2-4-12(11)9-13/h5-6,9,16H,2-4,7-8,10H2,1H3
InChIKeyOCXPNGASEFJPDE-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.72
Rot. Bonds5

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

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-hydroxyethyl)-N-methylacetamide (PubChem CID 60681982) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-hydroxyethyl)-N-methylacetamide
PubChem CID60681982
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO2S/c1-15(7-8-16)14(17)10-18-13-6-5-11-3-2-4-12(11)9-13/h5-6,9,16H,2-4,7-8,10H2,1H3
InChIKeyOCXPNGASEFJPDE-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide
CID 60652446
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 115771303
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methoxy-N-methylacetamide
CID 60656256
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
CID 46412703
N-(2-hydroxyethyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60740767
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone
CID 60652389
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109478875
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 55594217
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357695
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-hydroxyethyl)-N-methylacetamide (CID 60681982) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-hydroxyethyl)-N-methylacetamide is CN(CCO)C(=O)CSc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-hydroxyethyl)-N-methylacetamide?
The InChIKey is OCXPNGASEFJPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-15(7-8-16)14(17)10-18-13-6-5-11-3-2-4-12(11)9-13/h5-6,9,16H,2-4,7-8,10H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-hydroxyethyl)-N-methylacetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-hydroxyethyl)-N-methylacetamide has a molecular weight of 265.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 60681982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).