2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide

C15H22N2O2S2 — CID 79203713

IUPAC2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide
SMILESCC(C)C1CCCN1S(=O)(=O)c1ccc(CC(N)=S)cc1
InChIInChI=1S/C15H22N2O2S2/c1-11(2)14-4-3-9-17(14)21(18,19)13-7-5-12(6-8-13)10-15(16)20/h5-8,11,14H,3-4,9-10H2,1-2H3,(H2,16,20)
InChIKeyFPRIXUVZYDDLHH-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.32
Rot. Bonds5

About 2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide

2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide (PubChem CID 79203713) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide
PubChem CID79203713
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC Name2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide
SMILESCC(C)C1CCCN1S(=O)(=O)c1ccc(CC(N)=S)cc1
InChIInChI=1S/C15H22N2O2S2/c1-11(2)14-4-3-9-17(14)21(18,19)13-7-5-12(6-8-13)10-15(16)20/h5-8,11,14H,3-4,9-10H2,1-2H3,(H2,16,20)
InChIKeyFPRIXUVZYDDLHH-UHFFFAOYSA-N
XLogP2.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide 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-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanethioamide
CID 79185925
2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 138998214
2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanethioamide
CID 104967500
2-[4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanethioamide
CID 79203709
2-(4-piperidin-1-ylsulfonylphenyl)ethanethioamide
CID 79186250
2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline
CID 82844266
2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanethioamide
CID 79184815
1-[1-(4-propylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63255131
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 3790655
(2S)-2-[(1S)-1-iodoethyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101191700
1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 110728313
[2-chloro-3-fluoro-5-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 81452524

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide?
The IUPAC name of 2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide (CID 79203713) is 2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide.
What is the SMILES notation for 2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide?
The canonical SMILES for 2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide is CC(C)C1CCCN1S(=O)(=O)c1ccc(CC(N)=S)cc1.
What is the InChIKey of 2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide?
The InChIKey is FPRIXUVZYDDLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-11(2)14-4-3-9-17(14)21(18,19)13-7-5-12(6-8-13)10-15(16)20/h5-8,11,14H,3-4,9-10H2,1-2H3,(H2,16,20).
What are the key properties of 2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide?
2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide has a molecular weight of 326.49 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide is sourced from PubChem (CID 79203713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).