1-methyl-3-naphthalen-2-ylsulfanylpyrrolidin-2-one

C15H15NOS — CID 71875721

IUPAC1-methyl-3-naphthalen-2-ylsulfanylpyrrolidin-2-one
SMILESCN1CCC(Sc2ccc3ccccc3c2)C1=O
InChIInChI=1S/C15H15NOS/c1-16-9-8-14(15(16)17)18-13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14H,8-9H2,1H3
InChIKeyOJLUJTAJUKKWAG-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.16
Rot. Bonds2

About 1-methyl-3-naphthalen-2-ylsulfanylpyrrolidin-2-one

1-methyl-3-naphthalen-2-ylsulfanylpyrrolidin-2-one (PubChem CID 71875721) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-methyl-3-naphthalen-2-ylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-naphthalen-2-ylsulfanylpyrrolidin-2-one
PubChem CID71875721
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name1-methyl-3-naphthalen-2-ylsulfanylpyrrolidin-2-one
SMILESCN1CCC(Sc2ccc3ccccc3c2)C1=O
InChIInChI=1S/C15H15NOS/c1-16-9-8-14(15(16)17)18-13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14H,8-9H2,1H3
InChIKeyOJLUJTAJUKKWAG-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-{3-[(4-Methylphenyl)thio]propanoyl}pyrrolidine
CID 893368
2-naphthalen-2-ylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 2335224
1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl 4-methylphenyl sulfide
CID 2942332
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-naphthalen-2-ylsulfanylacetamide
CID 15945229
1-(2-Methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone
CID 3645022
N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 5201760
2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 2347935
1-(2-Naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide
CID 2348586
N-ethyl-2-naphthalen-2-ylsulfanylacetamide
CID 2500692
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-methyl-3-naphthalen-2-ylsulfanylpyrrolidin-2-one?
The IUPAC name of 1-methyl-3-naphthalen-2-ylsulfanylpyrrolidin-2-one (CID 71875721) is 1-methyl-3-naphthalen-2-ylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-naphthalen-2-ylsulfanylpyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-naphthalen-2-ylsulfanylpyrrolidin-2-one is CN1CCC(Sc2ccc3ccccc3c2)C1=O.
What is the InChIKey of 1-methyl-3-naphthalen-2-ylsulfanylpyrrolidin-2-one?
The InChIKey is OJLUJTAJUKKWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-16-9-8-14(15(16)17)18-13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14H,8-9H2,1H3.
What are the key properties of 1-methyl-3-naphthalen-2-ylsulfanylpyrrolidin-2-one?
1-methyl-3-naphthalen-2-ylsulfanylpyrrolidin-2-one has a molecular weight of 257.36 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-naphthalen-2-ylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 71875721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).