[1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

C16H23N3O4S2 — CID 128570491

IUPAC[1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCCOc1ccncc1S(=O)(=O)N1CCCC1C(=O)N1CCSCC1
InChIInChI=1S/C16H23N3O4S2/c1-2-23-14-5-6-17-12-15(14)25(21,22)19-7-3-4-13(19)16(20)18-8-10-24-11-9-18/h5-6,12-13H,2-4,7-11H2,1H3
InChIKeyAYZMTUBFDGZVOR-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.21
Rot. Bonds5

About [1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

[1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 128570491) has the molecular formula C16H23N3O4S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is [1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID128570491
Molecular FormulaC16H23N3O4S2
Molecular Weight385.51 g/mol
Exact Mass385.11
IUPAC Name[1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
SMILESCCOc1ccncc1S(=O)(=O)N1CCCC1C(=O)N1CCSCC1
InChIInChI=1S/C16H23N3O4S2/c1-2-23-14-5-6-17-12-15(14)25(21,22)19-7-3-4-13(19)16(20)18-8-10-24-11-9-18/h5-6,12-13H,2-4,7-11H2,1H3
InChIKeyAYZMTUBFDGZVOR-UHFFFAOYSA-N
XLogP1.21
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone 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

(2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 122069680
[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 95177278
(2S)-1-(5-bromo-2-ethoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 2422378
(2S)-N,N-diethyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-sulfonamide
CID 95177282
ethyl 4-[(2S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carbonyl]piperazine-1-carboxylate
CID 92665080
4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071113
ethyl 4-[(2R)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]piperazine-1-carboxylate
CID 41024904
N-[2-(4-ethoxyphenoxy)ethyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56542058
(2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid
CID 122069813
(2S,3S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]-3-methylpentanoic acid
CID 122069871
(4-ethylpiperazin-1-yl)-[(2S)-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 30128102
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone
CID 119647161

Frequently Asked Questions

What is the IUPAC name of [1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone (CID 128570491) is [1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone is CCOc1ccncc1S(=O)(=O)N1CCCC1C(=O)N1CCSCC1.
What is the InChIKey of [1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is AYZMTUBFDGZVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S2/c1-2-23-14-5-6-17-12-15(14)25(21,22)19-7-3-4-13(19)16(20)18-8-10-24-11-9-18/h5-6,12-13H,2-4,7-11H2,1H3.
What are the key properties of [1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone?
[1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 385.51 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 128570491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).