2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine

C11H17NO2S2 — CID 110728294

IUPAC2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine
SMILESCC(C)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C11H17NO2S2/c1-9(2)10-5-3-7-12(10)16(13,14)11-6-4-8-15-11/h4,6,8-10H,3,5,7H2,1-2H3
InChIKeyBQTDPFSVIJALDM-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.56
Rot. Bonds3

About 2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine

2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine (PubChem CID 110728294) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine
PubChem CID110728294
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC Name2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine
SMILESCC(C)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C11H17NO2S2/c1-9(2)10-5-3-7-12(10)16(13,14)11-6-4-8-15-11/h4,6,8-10H,3,5,7H2,1-2H3
InChIKeyBQTDPFSVIJALDM-UHFFFAOYSA-N
XLogP2.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol
CID 79543711
2-(2-chloropropyl)-1-thiophen-2-ylsulfonylazepane
CID 112748624
[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone
CID 119517026
3-propan-2-yl-5-[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]-1H-1,2,4-triazole
CID 91653844
2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 138998214
(2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 95273287
(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride
CID 42281719
(2R)-4-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]pentanoic acid
CID 119363680
1-phenyl-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)ethanol
CID 71911232
1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 110728313
N-(2-methyl-6-propan-2-ylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341696

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine?
The IUPAC name of 2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine (CID 110728294) is 2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine.
What is the SMILES notation for 2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine?
The canonical SMILES for 2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine is CC(C)C1CCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of 2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine?
The InChIKey is BQTDPFSVIJALDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-9(2)10-5-3-7-12(10)16(13,14)11-6-4-8-15-11/h4,6,8-10H,3,5,7H2,1-2H3.
What are the key properties of 2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine?
2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine has a molecular weight of 259.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 110728294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).