1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one

C16H17NOS — CID 168709400

IUPAC1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1CCc1ccc2ccccc2c1
InChIInChI=1S/C16H17NOS/c18-16-10-15(19)11-17(16)8-7-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15,19H,7-8,10-11H2
InChIKeyLHLDGSMUHPRKOY-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.91
Rot. Bonds3

About 1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one

1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168709400) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one
PubChem CID168709400
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1CCc1ccc2ccccc2c1
InChIInChI=1S/C16H17NOS/c18-16-10-15(19)11-17(16)8-7-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15,19H,7-8,10-11H2
InChIKeyLHLDGSMUHPRKOY-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168708660
methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate
CID 168694190
S-[1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706074
1-(2-naphthalen-1-ylethyl)-4-sulfanylpyrrolidin-2-one
CID 168709415
1-[2-(4-propan-2-ylphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168708082
1-[2-(3,5-difluorophenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168709394
4-sulfanyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one
CID 168709403
1-[2-(1H-pyrrol-3-yl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168709391
1-[2-(4-naphthalen-2-yloxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22683236
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168709436
4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole
CID 123381713
1-[(4-benzylphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 22292958

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one (CID 168709400) is 1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one is O=C1CC(S)CN1CCc1ccc2ccccc2c1.
What is the InChIKey of 1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is LHLDGSMUHPRKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c18-16-10-15(19)11-17(16)8-7-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15,19H,7-8,10-11H2.
What are the key properties of 1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one?
1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one has a molecular weight of 271.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-2-ylethyl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168709400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).