[4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone

C16H25N3O4S — CID 95112284

IUPAC[4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCC[C@@]1(N2CCN(C(=O)c3ccco3)CC2)CCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H25N3O4S/c1-3-16(6-7-19(13-16)24(2,21)22)18-10-8-17(9-11-18)15(20)14-5-4-12-23-14/h4-5,12H,3,6-11,13H2,1-2H3/t16-/m1/s1
InChIKeyLUUYDQYWFODSRC-MRXNPFEDSA-N
MW355.46 g/mol
LogP0.85
Rot. Bonds4

About [4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 95112284) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is [4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID95112284
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name[4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCC[C@@]1(N2CCN(C(=O)c3ccco3)CC2)CCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H25N3O4S/c1-3-16(6-7-19(13-16)24(2,21)22)18-10-8-17(9-11-18)15(20)14-5-4-12-23-14/h4-5,12H,3,6-11,13H2,1-2H3/t16-/m1/s1
InChIKeyLUUYDQYWFODSRC-MRXNPFEDSA-N
XLogP0.85
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-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

(2-chloro-5-fluorophenyl)-[4-(3-ethyl-1-methylsulfonylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 53194212
[(5S,10S)-10-fluoro-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]-(furan-2-yl)methanone
CID 124522121
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone
CID 134074747
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid
CID 75539457
[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 110798086
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
azepan-1-yl(furan-2-yl)methanone
CID 5200992
4-(furan-2-carbonyl)-N'-methyl-N-(3-methylsulfonylpropyl)piperazine-1-carboximidamide
CID 111166347

Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 95112284) is [4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone is CC[C@@]1(N2CCN(C(=O)c3ccco3)CC2)CCN(S(C)(=O)=O)C1.
What is the InChIKey of [4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is LUUYDQYWFODSRC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-3-16(6-7-19(13-16)24(2,21)22)18-10-8-17(9-11-18)15(20)14-5-4-12-23-14/h4-5,12H,3,6-11,13H2,1-2H3/t16-/m1/s1.
What are the key properties of [4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 355.46 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 95112284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).