3-[(3S)-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione

C18H16N2O3S — CID 99991790

IUPAC3-[(3S)-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C(c1cccc2ccccc12)N1CC[C@H](N2C(=O)CSC2=O)C1
InChIInChI=1S/C18H16N2O3S/c21-16-11-24-18(23)20(16)13-8-9-19(10-13)17(22)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11H2/t13-/m0/s1
InChIKeyLKARUEKBFRKAMG-ZDUSSCGKSA-N
MW340.40 g/mol
LogP2.75
Rot. Bonds2

About 3-[(3S)-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione

3-[(3S)-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 99991790) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-[(3S)-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3S)-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
PubChem CID99991790
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name3-[(3S)-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C(c1cccc2ccccc12)N1CC[C@H](N2C(=O)CSC2=O)C1
InChIInChI=1S/C18H16N2O3S/c21-16-11-24-18(23)20(16)13-8-9-19(10-13)17(22)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11H2/t13-/m0/s1
InChIKeyLKARUEKBFRKAMG-ZDUSSCGKSA-N
XLogP2.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(naphthalene-1-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160397
N-[4-[(3R)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 99991762
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride
CID 119636847
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554043
naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51556451
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 86265737
[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-naphthalen-1-ylmethanone
CID 122243216
3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121156873
1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 51239998
(3R)-N-(3,4-dimethylphenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)pyrrolidine-1-carboxamide
CID 100728995

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(3S)-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione (CID 99991790) is 3-[(3S)-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(3S)-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(3S)-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione is O=C(c1cccc2ccccc12)N1CC[C@H](N2C(=O)CSC2=O)C1.
What is the InChIKey of 3-[(3S)-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is LKARUEKBFRKAMG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-16-11-24-18(23)20(16)13-8-9-19(10-13)17(22)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11H2/t13-/m0/s1.
What are the key properties of 3-[(3S)-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione?
3-[(3S)-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 340.40 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(naphthalene-1-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 99991790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).