1-(2-naphthalen-2-ylsulfanylacetyl)pyrrolidin-2-one

C16H15NO2S — CID 2500727

IUPAC1-(2-naphthalen-2-ylsulfanylacetyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C16H15NO2S/c18-15-6-3-9-17(15)16(19)11-20-14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10H,3,6,9,11H2
InChIKeyCTXQRMQNCUYRHN-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.08
Rot. Bonds3

About 1-(2-naphthalen-2-ylsulfanylacetyl)pyrrolidin-2-one

1-(2-naphthalen-2-ylsulfanylacetyl)pyrrolidin-2-one (PubChem CID 2500727) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(2-naphthalen-2-ylsulfanylacetyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-naphthalen-2-ylsulfanylacetyl)pyrrolidin-2-one
PubChem CID2500727
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name1-(2-naphthalen-2-ylsulfanylacetyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C16H15NO2S/c18-15-6-3-9-17(15)16(19)11-20-14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10H,3,6,9,11H2
InChIKeyCTXQRMQNCUYRHN-UHFFFAOYSA-N
XLogP3.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 2335224
1-(Azepan-1-yl)-2-(naphthalen-2-ylsulfonyl)ethanone
CID 851309
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-naphthalen-2-ylsulfanylacetamide
CID 15945229
5-(Naphthalen-2-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione
CID 44280655
1-(2-Methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone
CID 3645022
2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 2347935
1-(2-Naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide
CID 2348586
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-naphthalen-2-ylsulfanylacetate
CID 2371737
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7402809
2-(Naphthalen-2-ylsulfonyl)-1-(pyrrolidin-1-yl)ethanone
CID 851310
2-Naphthyl 3-oxo-3-(1-pyrrolidinyl)propyl sulfone
CID 851318
3-[(3S)-3-naphthalen-2-ylsulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 10925099

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-2-ylsulfanylacetyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-naphthalen-2-ylsulfanylacetyl)pyrrolidin-2-one (CID 2500727) is 1-(2-naphthalen-2-ylsulfanylacetyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-naphthalen-2-ylsulfanylacetyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-naphthalen-2-ylsulfanylacetyl)pyrrolidin-2-one is O=C1CCCN1C(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of 1-(2-naphthalen-2-ylsulfanylacetyl)pyrrolidin-2-one?
The InChIKey is CTXQRMQNCUYRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c18-15-6-3-9-17(15)16(19)11-20-14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10H,3,6,9,11H2.
What are the key properties of 1-(2-naphthalen-2-ylsulfanylacetyl)pyrrolidin-2-one?
1-(2-naphthalen-2-ylsulfanylacetyl)pyrrolidin-2-one has a molecular weight of 285.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-2-ylsulfanylacetyl)pyrrolidin-2-one is sourced from PubChem (CID 2500727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).