[(2S)-4-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

C19H22N2O2S2 — CID 18645817

IUPAC[(2S)-4-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(C1CCc2ccccc2C1)C1C(=S)CN[C@@H]1C(=O)N1CCSC1
InChIInChI=1S/C19H22N2O2S2/c22-18(14-6-5-12-3-1-2-4-13(12)9-14)16-15(24)10-20-17(16)19(23)21-7-8-25-11-21/h1-4,14,16-17,20H,5-11H2/t14?,16?,17-/m0/s1
InChIKeyJFGIAHXOWOPIDF-PREGVCBESA-N
MW374.53 g/mol
LogP1.85
Rot. Bonds3

About [(2S)-4-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

[(2S)-4-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 18645817) has the molecular formula C19H22N2O2S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is [(2S)-4-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-4-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID18645817
Molecular FormulaC19H22N2O2S2
Molecular Weight374.53 g/mol
Exact Mass374.11
IUPAC Name[(2S)-4-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(C1CCc2ccccc2C1)C1C(=S)CN[C@@H]1C(=O)N1CCSC1
InChIInChI=1S/C19H22N2O2S2/c22-18(14-6-5-12-3-1-2-4-13(12)9-14)16-15(24)10-20-17(16)19(23)21-7-8-25-11-21/h1-4,14,16-17,20H,5-11H2/t14?,16?,17-/m0/s1
InChIKeyJFGIAHXOWOPIDF-PREGVCBESA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [(2S)-4-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 18645762
4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)thiomorpholine-3-carboxylic acid
CID 107126369
cyclopentyl(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409165
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2R)-2-(1,3-thiazolidine-3-carbothioyl)pyrrolidin-3-yl]ethanone
CID 57183419
1-[(2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-sulfanylidenepyrrolidin-3-yl]-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pentan-1-one
CID 22852884
(2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid
CID 107126335
(2S)-1-[(2S)-4-sulfanylidene-3-[3-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 22852943
[(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126386
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
(2S)-4-sulfanylidene-3-[(2S)-4-sulfanylidene-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde
CID 22853056
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]ethanone
CID 18645781
4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one
CID 122332121

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [(2S)-4-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 18645817) is [(2S)-4-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [(2S)-4-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [(2S)-4-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is O=C(C1CCc2ccccc2C1)C1C(=S)CN[C@@H]1C(=O)N1CCSC1.
What is the InChIKey of [(2S)-4-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is JFGIAHXOWOPIDF-PREGVCBESA-N. The full InChI is InChI=1S/C19H22N2O2S2/c22-18(14-6-5-12-3-1-2-4-13(12)9-14)16-15(24)10-20-17(16)19(23)21-7-8-25-11-21/h1-4,14,16-17,20H,5-11H2/t14?,16?,17-/m0/s1.
What are the key properties of [(2S)-4-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
[(2S)-4-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 374.53 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-sulfanylidene-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 18645817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).