2-(2,3-dihydro-1H-inden-2-ylsulfanyl)-N-propan-2-ylacetamide

C14H19NOS — CID 86076523

IUPAC2-(2,3-dihydro-1H-inden-2-ylsulfanyl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSC1Cc2ccccc2C1
InChIInChI=1S/C14H19NOS/c1-10(2)15-14(16)9-17-13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13H,7-9H2,1-2H3,(H,15,16)
InChIKeyGMJXQUKCJJEQAX-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.41
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-2-ylsulfanyl)-N-propan-2-ylacetamide

2-(2,3-dihydro-1H-inden-2-ylsulfanyl)-N-propan-2-ylacetamide (PubChem CID 86076523) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-ylsulfanyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-ylsulfanyl)-N-propan-2-ylacetamide
PubChem CID86076523
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name2-(2,3-dihydro-1H-inden-2-ylsulfanyl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSC1Cc2ccccc2C1
InChIInChI=1S/C14H19NOS/c1-10(2)15-14(16)9-17-13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13H,7-9H2,1-2H3,(H,15,16)
InChIKeyGMJXQUKCJJEQAX-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylsulfanyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylsulfanyl)-N-propan-2-ylacetamide (CID 86076523) is 2-(2,3-dihydro-1H-inden-2-ylsulfanyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-ylsulfanyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-ylsulfanyl)-N-propan-2-ylacetamide is CC(C)NC(=O)CSC1Cc2ccccc2C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-ylsulfanyl)-N-propan-2-ylacetamide?
The InChIKey is GMJXQUKCJJEQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-10(2)15-14(16)9-17-13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-ylsulfanyl)-N-propan-2-ylacetamide?
2-(2,3-dihydro-1H-inden-2-ylsulfanyl)-N-propan-2-ylacetamide has a molecular weight of 249.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-ylsulfanyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 86076523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).