[(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

C20H24N2O2S — CID 18645762

IUPAC[(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(C1CCc2ccccc2C1)C1C(=S)CN[C@@H]1C(=O)N1CCCC1
InChIInChI=1S/C20H24N2O2S/c23-19(15-8-7-13-5-1-2-6-14(13)11-15)17-16(25)12-21-18(17)20(24)22-9-3-4-10-22/h1-2,5-6,15,17-18,21H,3-4,7-12H2/t15?,17?,18-/m0/s1
InChIKeyMKMSBNXCRARZRE-VJFUWPCTSA-N
MW356.49 g/mol
LogP1.94
Rot. Bonds3

About [(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

[(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 18645762) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is [(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID18645762
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name[(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(C1CCc2ccccc2C1)C1C(=S)CN[C@@H]1C(=O)N1CCCC1
InChIInChI=1S/C20H24N2O2S/c23-19(15-8-7-13-5-1-2-6-14(13)11-15)17-16(25)12-21-18(17)20(24)22-9-3-4-10-22/h1-2,5-6,15,17-18,21H,3-4,7-12H2/t15?,17?,18-/m0/s1
InChIKeyMKMSBNXCRARZRE-VJFUWPCTSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-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)-1-[(2S)-1-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 10090257
(2S)-1-[(2S)-1-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde
CID 10044551
1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
CID 10020162
1-((S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl)-2-((R)-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
CID 10088633
1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
CID 10382642
1-((S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl)-2-((S)-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
CID 10449942
2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[(2R)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethanone
CID 44305540
2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[(2R)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]ethanone
CID 44305888
2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[(4R)-4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidin-3-yl]ethanone
CID 9976844
1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
CID 10428498
1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
CID 10428499
(2S)-N-[(4-aminocyclohexyl)methyl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 10572047

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 18645762) is [(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is O=C(C1CCc2ccccc2C1)C1C(=S)CN[C@@H]1C(=O)N1CCCC1.
What is the InChIKey of [(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is MKMSBNXCRARZRE-VJFUWPCTSA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-19(15-8-7-13-5-1-2-6-14(13)11-15)17-16(25)12-21-18(17)20(24)22-9-3-4-10-22/h1-2,5-6,15,17-18,21H,3-4,7-12H2/t15?,17?,18-/m0/s1.
What are the key properties of [(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
[(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 356.49 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 18645762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).